| Properties | Image |
|---|
| MNX_ID | MNXM114523 |
 |
| reference | metacycM:CPD-14977 |
| formula | C31H28O14 |
| global charge | 0 |
| mol weight | 624.551 |
| InChIKey | RKHQLCNACMCZQU-GWPISODLSA-N |
| InChI | InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-3+/t22-,25-,27+,28-,31+/m1/s1 |
| SMILES | COC1=C(O)C=CC(/C=C/C(=O)OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-3+/t22-,25-,27+,28-,31+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:20]1=[C:18]([OH:34])[CH:8]=[CH:2][C:14](/[CH:3]=[CH:9]/[C:23](=[O:36])[O:42][CH2:13][C@@H:22]2[C@@H:25]([OH:37])[C@H:27]([OH:39])[C@@H:28]([OH:40])[C@H:31]([O:45][C:30]3=[C:29]([C:15]4=[CH:5][CH:7]=[C:16]([OH:32])[CH:6]=[CH:4]4)[O:43][C:21]4=[CH:12][C:17]([OH:33])=[CH:11][C:19]([OH:35])=[C:24]4[C:26]3=[O:38])[O:44]2)=[CH:10]1 |
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