| Properties | Image |
|---|
| MNX_ID | MNXM109136 |
 |
| reference | chebi:66184 |
| formula | C31H30O13 |
| global charge | 0 |
| mol weight | 610.568 |
| InChIKey | NDPAAFXCQBLVTE-FBRIBSNSSA-N |
| InChI | InChI=1S/C31H30O13/c1-15-23(42-16(2)32)18-11-20-24(41-14-40-20)25-22(18)30(13-39-25)19(12-21(33)37-4)26(43-27(34)17-9-7-6-8-10-17)29(15,3)44-31(30,36)28(35)38-5/h6-12,15,23,26,36H,13-14H2,1-5H3/b19-12-/t15-,23+,26-,29-,30-,31+/m0/s1 |
| SMILES | COC(=O)/C=C1/[C@H](OC(=O)C2=CC=CC=C2)[C@@]2(C)O[C@](O)(C(=O)OC)[C@@]13COC1=C3C(=CC3=C1OCO3)[C@H](OC(C)=O)[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C31H30O13/c1-15-23(42-16(2)32)18-11-20-24(41-14-40-20)25-22(18)30(13-39-25)19(12-21(33)37-4)26(43-27(34)17-9-7-6-8-10-17)29(15,3)44-31(30,36)28(35)38-5/h6-12,15,23,26,36H,13-14H2,1-5H3/b19-12-/t15-,23+,26-,29-,30-,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[C@@H:23]([O:42][C:16]([CH3:2])=[O:32])[C:18]2=[C:22]3[C:25](=[C:24]4[C:20](=[CH:11]2)[O:40][CH2:14][O:41]4)[O:39][CH2:13][C@:30]32/[C:19](=[CH:12]\[C:21](=[O:33])[O:37][CH3:4])[C@H:26]([O:43][C:27]([C:17]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)=[O:34])[C@@:29]1([CH3:3])[O:44][C@@:31]2([C:28](=[O:35])[O:38][CH3:5])[OH:36] |
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