| Properties | Image |
|---|
| MNX_ID | MNXM106039 |
 |
| reference | chebi:70061 |
| formula | C31H34O11 |
| global charge | 0 |
| mol weight | 582.602 |
| InChIKey | KTMJFKJPTSMGCD-VDMXRCJISA-N |
| InChI | InChI=1S/C31H34O11/c1-12-7-15-9-18(33)26-27(24(15)17(32)8-12)29(37)16-5-4-6-21(25(16)30(26)38)41-22-11-20(35)31(14(3)40-22)42-23-10-19(34)28(36)13(2)39-23/h4-8,13-14,18-20,22-23,28,31-36H,9-11H2,1-3H3/t13-,14-,18-,19-,20-,22+,23+,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=C2 |
MNX internals
| InChI (mnx) | InChI=1/C31H34O11/c1-12-7-15-9-18(33)26-27(24(15)17(32)8-12)29(37)16-5-4-6-21(25(16)30(26)38)41-22-11-20(35)31(14(3)40-22)42-23-10-19(34)28(36)13(2)39-23/h4-8,13-14,18-20,22-23,28,31-36H,9-11H2,1-3H3/t13-,14-,18-,19-,20-,22+,23+,28-,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]1=[CH:7][C:15]2=[C:24]([C:17]([OH:32])=[CH:8]1)[C:27]1=[C:26]([C@H:18]([OH:33])[CH2:9]2)[C:30](=[O:38])[C:25]2=[C:16]([CH:5]=[CH:4][CH:6]=[C:21]2[O:41][C@H:22]2[CH2:11][C@@H:20]([OH:35])[C@H:31]([O:42][C@H:23]3[CH2:10][C@@H:19]([OH:34])[C@H:28]([OH:36])[C@@H:13]([CH3:2])[O:39]3)[C@@H:14]([CH3:3])[O:40]2)[C:29]1=[O:37] |
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