| Properties | Image |
|---|
| MNX_ID | MNXM54906 |
 |
| reference | chebi:187416 |
| formula | C27H34O9 |
| global charge | 0 |
| mol weight | 502.56 |
| InChIKey | XLUWWEZLAOLITG-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H34O9/c1-15(7-6-11-27(2,3)32)10-12-35-18-9-8-16(13-17(18)28)25-24(31)22(29)21-19(36-25)14-20(33-4)26(34-5)23(21)30/h8-9,13-15,28,30-32H,6-7,10-12H2,1-5H3 |
| SMILES | COC1=CC2=C(C(=O)C(O)=C(C3=CC(O)=C(OCCC(C)CCCC(C)(C)O)C=C3)O2)C(O)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C27H34O9/c1-15(7-6-11-27(2,3)32)10-12-35-18-9-8-16(13-17(18)28)25-24(31)22(29)21-19(36-25)14-20(33-4)26(34-5)23(21)30/h8-9,13-15,28,30-32H,6-7,10-12H2,1-5H3/t15? |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH2:7][CH2:6][CH2:11][C:27]([CH3:2])([CH3:3])[OH:32])[CH2:10][CH2:12][O:35][C:18]1=[C:17]([OH:28])[CH:13]=[C:16]([C:25]2=[C:24]([OH:31])[C:22](=[O:29])[C:21]3=[C:23]([OH:30])[C:26]([O:34][CH3:5])=[C:20]([O:33][CH3:4])[CH:14]=[C:19]3[O:36]2)[CH:8]=[CH:9]1 |
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