| Properties | Image |
|---|
| MNX_ID | MNXM114693 |
 |
| reference | metacycM:CPD-14991 |
| formula | C30H26O13 |
| global charge | 0 |
| mol weight | 594.525 |
| InChIKey | MUKDIIVMECIYQR-BQCCONABSA-N |
| InChI | InChI=1S/C30H26O13/c31-13-21-28(42-22(36)10-3-14-1-6-16(32)7-2-14)25(38)26(39)30(41-21)43-29-24(37)23-19(35)11-18(34)12-20(23)40-27(29)15-4-8-17(33)9-5-15/h1-12,21,25-26,28,30-35,38-39H,13H2/b10-3+/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=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C30H26O13/c31-13-21-28(42-22(36)10-3-14-1-6-16(32)7-2-14)25(38)26(39)30(41-21)43-29-24(37)23-19(35)11-18(34)12-20(23)40-27(29)15-4-8-17(33)9-5-15/h1-12,21,25-26,28,30-35,38-39H,13H2/b10-3+/t21-,25-,26-,28-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:16]([OH:32])=[CH:7][CH:2]=[C:14]1/[CH:3]=[CH:10]/[C:22](=[O:36])[O:42][C@@H:28]1[C@@H:21]([CH2:13][OH:31])[O:41][C@@H:30]([O:43][C:29]2=[C:27]([C:15]3=[CH:5][CH:9]=[C:17]([OH:33])[CH:8]=[CH:4]3)[O:40][C:20]3=[CH:12][C:18]([OH:34])=[CH:11][C:19]([OH:35])=[C:23]3[C:24]2=[O:37])[C@H:26]([OH:39])[C@H:25]1[OH:38] |
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