| Properties | Image |
|---|
| MNX_ID | MNXM104851 |
 |
| reference | chebi:69570 |
| formula | C35H34O6 |
| global charge | 0 |
| mol weight | 550.651 |
| InChIKey | DJTINKKXBIBDGX-ATHMESRBSA-N |
| InChI | InChI=1S/C35H34O6/c1-41-32-23-31(39)33(35(40)34(32)30(38)22-16-25-11-6-3-7-12-25)29(26-17-20-28(37)21-18-26)14-8-13-27(36)19-15-24-9-4-2-5-10-24/h2-12,14,16-18,20-23,27,29,36-37,39-40H,13,15,19H2,1H3/b14-8+,22-16+/t27-,29+/m0/s1 |
| SMILES | COC1=C(C(=O)/C=C/C2=CC=CC=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/C35H34O6/c1-41-32-23-31(39)33(35(40)34(32)30(38)22-16-25-11-6-3-7-12-25)29(26-17-20-28(37)21-18-26)14-8-13-27(36)19-15-24-9-4-2-5-10-24/h2-12,14,16-18,20-23,27,29,36-37,39-40H,13,15,19H2,1H3/b14-8+,22-16+/t27-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:32]1=[C:34]([C:30](/[CH:22]=[CH:16]/[C:25]2=[CH:11][CH:6]=[CH:3][CH:7]=[CH:12]2)=[O:38])[C:35]([OH:40])=[C:33]([C@H:29](/[CH:14]=[CH:8]/[CH2:13][C@@H:27]([CH2:19][CH2:15][C:24]2=[CH:9][CH:4]=[CH:2][CH:5]=[CH:10]2)[OH:36])[C:26]2=[CH:18][CH:21]=[C:28]([OH:37])[CH:20]=[CH:17]2)[C:31]([OH:39])=[CH:23]1 |
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