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 42 60  1  6  0  0  0
 42112  1  0  0  0  0
 43 45  2  0  0  0  0
 44 47  1  0  0  0  0
 44113  1  0  0  0  0
 45 57  1  0  0  0  0
 46 49  2  0  0  0  0
 47 65  1  6  0  0  0
 47114  1  0  0  0  0
 48 49  1  0  0  0  0
 48 53  1  0  0  0  0
 48 59  1  0  0  0  0
 48115  1  1  0  0  0
 49 63  1  0  0  0  0
 50 62  1  0  0  0  0
 50 68  2  0  0  0  0
 51 58  1  0  0  0  0
 52 58  2  0  0  0  0
 53 61  1  0  0  0  0
 53116  1  0  0  0  0
 54 64  1  0  0  0  0
 55 73  2  0  0  0  0
 55 74  1  0  0  0  0
 56 66  1  0  0  0  0
 57 64  2  0  0  0  0
 58117  1  0  0  0  0
 59 69  1  0  0  0  0
 59 76  2  0  0  0  0
 60 78  2  0  0  0  0
 60 79  1  0  0  0  0
 61 75  1  1  0  0  0
 61118  1  0  0  0  0
 62 67  2  0  0  0  0
 63 66  2  0  0  0  0
 64119  1  0  0  0  0
 65 81  2  0  0  0  0
 65 82  1  0  0  0  0
 66121  1  0  0  0  0
 67 70  1  0  0  0  0
 67 77  1  0  0  0  0
 68 80  1  0  0  0  0
 69 83  2  0  0  0  0
 70 72  1  0  0  0  0
 70123  1  0  0  0  0
 70124  1  0  0  0  0
 71 72  1  0  0  0  0
 71 84  1  1  0  0  0
 71125  1  0  0  0  0
 72126  1  0  0  0  0
 73 85  1  0  0  0  0
 73128  1  0  0  0  0
 74 86  2  0  0  0  0
 74129  1  0  0  0  0
 75 91  2  0  0  0  0
 75 92  1  0  0  0  0
 76 87  1  0  0  0  0
 77 80  2  0  0  0  0
 78 88  1  0  0  0  0
 78130  1  0  0  0  0
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 79131  1  0  0  0  0
 80132  1  0  0  0  0
 81 94  1  0  0  0  0
 81136  1  0  0  0  0
 82 95  2  0  0  0  0
 82137  1  0  0  0  0
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 83141  1  0  0  0  0
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 85 93  2  0  0  0  0
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 91100  1  0  0  0  0
 91146  1  0  0  0  0
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 92147  1  0  0  0  0
 94 97  2  0  0  0  0
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 95149  1  0  0  0  0
 98103  1  0  0  0  0
 98153  1  0  0  0  0
 99104  2  0  0  0  0
 99154  1  0  0  0  0
100102  2  0  0  0  0
101102  1  0  0  0  0
101155  1  0  0  0  0
103105  2  0  0  0  0
104105  1  0  0  0  0
104158  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16129741

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2900

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
30

> <PUBCHEM_CACTVS_HBOND_DONOR>
25

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGjQAAAAACRVAAAGgAACAAADRSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNNyKGMRqCeCGlwBULuAfA4PwOoAADCAAIQABAAAYQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]-3,5,7-trihydroxy-chroman-8-yl]-3,5,7-trihydroxy-chroman-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>R</I>)-2-(3,4-dihydroxyphenyl)-4-[(2<I>R</I>,3<I>R</I>,4<I>R</I>)-2-(3,4-dihydroxyphenyl)-4-[(2<I>R</I>,3<I>R</I>,4<I>S</I>)-2-(3,4-dihydroxyphenyl)-4-[(2<I>R</I>,3<I>R</I>)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2<I>H</I>-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2<I>H</I>-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2<I>H</I>-chromen-8-yl]-8-[(2<I>R</I>,3<I>R</I>,4<I>R</I>)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2<I>H</I>-chromen-4-yl]-3,4-dihydro-2<I>H</I>-chromene-3,5,7-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4R)-2-[3,4-bis(oxidanyl)phenyl]-4-[(2R,3R,4R)-2-[3,4-bis(oxidanyl)phenyl]-4-[(2R,3R,4S)-2-[3,4-bis(oxidanyl)phenyl]-4-[(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]-3,5,7-trihydroxy-chroman-8-yl]-3,5,7-trihydroxy-chroman-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chroman-3,5,7-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QRFZGLTZLZZHCM-NWYMYRDLSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
1442.33259056

> <PUBCHEM_MOLECULAR_FORMULA>
C75H62O30

> <PUBCHEM_MOLECULAR_WEIGHT>
1443.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C(C(=CC(=C56)O)O)[C@@H]7[C@H]([C@H](OC8=C(C(=CC(=C78)O)O)[C@@H]9[C@H]([C@H](OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

> <PUBCHEM_CACTVS_TPSA>
552

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1442.33259056

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
105

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
14

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
100  102  8
101  102  8
103  105  8
104  105  8
53  11  5
72  17  5
31  106  5
32  107  6
34  39  8
34  51  8
36  39  8
36  52  8
37  43  8
37  54  8
38  110  6
33  4  5
40  55  5
41  46  8
41  56  8
42  60  6
43  45  8
45  57  8
46  49  8
47  65  6
48  115  5
49  63  8
35  5  6
50  62  8
50  68  8
51  58  8
52  58  8
54  64  8
55  73  8
55  74  8
56  66  8
57  64  8
59  69  8
59  76  8
44  6  6
60  78  8
60  79  8
61  75  5
62  67  8
63  66  8
65  81  8
65  82  8
67  77  8
68  80  8
69  83  8
71  84  5
73  85  8
74  86  8
75  91  8
75  92  8
76  87  8
77  80  8
78  88  8
79  89  8
81  94  8
82  95  8
83  90  8
84  98  8
84  99  8
85  93  8
86  93  8
87  90  8
88  96  8
89  96  8
91  100  8
92  101  8
94  97  8
95  97  8
98  103  8
99  104  8

$$$$
