| Properties | Image |
|---|
| MNX_ID | MNXM114723 |
 |
| reference | metacycM:CPD-14992 |
| formula | C30H26O14 |
| global charge | 0 |
| mol weight | 610.524 |
| InChIKey | FUBNYKGNARGHTG-SATUJLNPSA-N |
| InChI | InChI=1S/C30H26O14/c31-12-21-28(43-22(37)8-3-13-1-5-15(32)6-2-13)25(39)26(40)30(42-21)44-29-24(38)23-19(36)10-16(33)11-20(23)41-27(29)14-4-7-17(34)18(35)9-14/h1-11,21,25-26,28,30-36,39-40H,12H2/b8-3+/t21-,25-,26-,28-,30+/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C30H26O14/c31-12-21-28(43-22(37)8-3-13-1-5-15(32)6-2-13)25(39)26(40)30(42-21)44-29-24(38)23-19(36)10-16(33)11-20(23)41-27(29)14-4-7-17(34)18(35)9-14/h1-11,21,25-26,28,30-36,39-40H,12H2/b8-3+/t21-,25-,26-,28-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:15]([OH:32])=[CH:6][CH:2]=[C:13]1/[CH:3]=[CH:8]/[C:22](=[O:37])[O:43][C@@H:28]1[C@@H:21]([CH2:12][OH:31])[O:42][C@@H:30]([O:44][C:29]2=[C:27]([C:14]3=[CH:9][C:18]([OH:35])=[C:17]([OH:34])[CH:7]=[CH:4]3)[O:41][C:20]3=[CH:11][C:16]([OH:33])=[CH:10][C:19]([OH:36])=[C:23]3[C:24]2=[O:38])[C@H:26]([OH:40])[C@H:25]1[OH:39] |
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