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    4.8820  -11.3781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6052  -10.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103    7.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7854    9.5391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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125126  1  0  0  0  0
125193  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16129623

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
3610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
36

> <PUBCHEM_CACTVS_HBOND_DONOR>
30

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <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,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]-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,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]-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>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]-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,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]-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,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]-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,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]-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/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
UUOWTYGESRVWCF-WKWFDMPLSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
1730.3959787

> <PUBCHEM_MOLECULAR_FORMULA>
C90H74O36

> <PUBCHEM_MOLECULAR_WEIGHT>
1731.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C5C(=CC(=C6C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=C(C(=CC(=C91)O)O)C1C(C(OC2=CC(=CC(=C12)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)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=C5C(=CC(=C6[C@@H]7[C@H]([C@H](OC8=C(C(=CC(=C78)O)O)[C@@H]9[C@H]([C@H](OC1=C(C(=CC(=C91)O)O)[C@@H]1[C@H]([C@H](OC2=CC(=CC(=C12)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)O)O)C1=CC(=C(C=C1)O)O)O

> <PUBCHEM_CACTVS_TPSA>
662

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1730.3959787

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
126

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
17

> <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>
489

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
100  116  8
101  112  8
102  109  8
103  109  8
104  111  8
105  111  8
106  119  8
106  120  8
107  112  8
108  117  8
110  117  8
113  118  8
114  121  8
115  122  8
116  118  8
119  124  8
120  125  8
121  123  8
122  123  8
124  126  8
125  126  8
69  16  6
89  21  6
37  127  6
38  128  5
39  129  5
42  45  8
42  61  8
43  48  8
43  63  8
44  45  8
44  64  8
46  68  6
47  48  8
47  65  8
40  5  6
50  70  5
51  54  8
51  67  8
52  135  6
53  58  8
53  73  8
54  56  8
55  75  5
56  74  8
58  62  8
59  81  6
41  6  5
60  139  6
61  71  8
62  79  8
63  72  8
64  71  8
65  72  8
66  80  8
66  84  8
67  78  8
68  87  8
68  90  8
49  7  5
70  91  8
70  92  8
73  82  8
74  78  8
75  95  8
75  96  8
76  85  8
76  94  8
77  93  6
79  82  8
57  8  6
80  83  8
81  100  8
81  99  8
83  97  8
84  98  8
85  101  8
87  102  8
88  106  6
90  103  8
91  104  8
92  105  8
93  114  8
93  115  8
94  107  8
95  108  8
96  110  8
97  98  8
99  113  8

$$$$
