| Properties | Image |
|---|
| MNX_ID | MNXM104852 |
 |
| reference | chebi:69573 |
| formula | C35H34O7 |
| global charge | 0 |
| mol weight | 566.65 |
| InChIKey | VIHJUBYCOAJPQW-CJIDPTHHSA-N |
| InChI | InChI=1S/C35H34O7/c1-42-32-22-31(40)33(35(41)34(32)30(39)21-13-24-11-17-27(37)18-12-24)29(25-14-19-28(38)20-15-25)9-5-8-26(36)16-10-23-6-3-2-4-7-23/h2-7,9,11-15,17-22,26,29,36-38,40-41H,8,10,16H2,1H3/b9-5+,21-13+/t26-,29+/m0/s1 |
| SMILES | COC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(O)=C([C@H](/C=C/C[C@H](O)CCC2=CC=CC=C2)C2=CC=C(O)C=C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H34O7/c1-42-32-22-31(40)33(35(41)34(32)30(39)21-13-24-11-17-27(37)18-12-24)29(25-14-19-28(38)20-15-25)9-5-8-26(36)16-10-23-6-3-2-4-7-23/h2-7,9,11-15,17-22,26,29,36-38,40-41H,8,10,16H2,1H3/b9-5+,21-13+/t26-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:42][C:32]1=[C:34]([C:30](/[CH:21]=[CH:13]/[C:24]2=[CH:12][CH:18]=[C:27]([OH:37])[CH:17]=[CH:11]2)=[O:39])[C:35]([OH:41])=[C:33]([C@H:29](/[CH:9]=[CH:5]/[CH2:8][C@@H:26]([CH2:16][CH2:10][C:23]2=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]2)[OH:36])[C:25]2=[CH:15][CH:20]=[C:28]([OH:38])[CH:19]=[CH:14]2)[C:31]([OH:40])=[CH:22]1 |
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