| Properties | Image |
|---|
| MNX_ID | MNXM106038 |
 |
| reference | chebi:70060 |
| formula | C31H34O12 |
| global charge | 0 |
| mol weight | 598.601 |
| InChIKey | OUHUAIDDBQQIFA-MXODATPMSA-N |
| InChI | InChI=1S/C31H34O12/c1-11-6-14-8-17(34)25-27(23(14)16(33)7-11)30(39)24-15(32)4-5-20(26(24)29(25)38)42-21-10-19(36)31(13(3)41-21)43-22-9-18(35)28(37)12(2)40-22/h4-7,12-13,17-19,21-22,28,31-37H,8-10H2,1-3H3/t12-,13-,17-,18-,19-,21+,22+,28-,31-/m1/s1 |
| SMILES | CC1=CC(O)=C2C(=C1)C[C@@H](O)C1=C2C(=O)C2=C(C1=O)C(O[C@H]1C[C@@H](O)[C@H](O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O1)=CC=C2O |
MNX internals
| InChI (mnx) | InChI=1/C31H34O12/c1-11-6-14-8-17(34)25-27(23(14)16(33)7-11)30(39)24-15(32)4-5-20(26(24)29(25)38)42-21-10-19(36)31(13(3)41-21)43-22-9-18(35)28(37)12(2)40-22/h4-7,12-13,17-19,21-22,28,31-37H,8-10H2,1-3H3/t12-,13-,17-,18-,19-,21+,22+,28-,31-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:11]1=[CH:6][C:14]2=[C:23]([C:16]([OH:33])=[CH:7]1)[C:27]1=[C:25]([C@H:17]([OH:34])[CH2:8]2)[C:29](=[O:38])[C:26]2=[C:20]([O:42][C@H:21]3[CH2:10][C@@H:19]([OH:36])[C@H:31]([O:43][C@H:22]4[CH2:9][C@@H:18]([OH:35])[C@H:28]([OH:37])[C@@H:12]([CH3:2])[O:40]4)[C@@H:13]([CH3:3])[O:41]3)[CH:5]=[CH:4][C:15]([OH:32])=[C:24]2[C:30]1=[O:39] |
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