| Properties | Image |
|---|
| MNX_ID | MNXM105654 |
 |
| reference | chebi:70396 |
| formula | C32H32O9 |
| global charge | 0 |
| mol weight | 560.599 |
| InChIKey | YDLZATQDFWVOBH-XCOQECSBSA-N |
| InChI | InChI=1S/C32H32O9/c1-16(2)9-22(33)28-29(34)17(3)30(35-4)21-11-20-13-25(18-5-7-23-26(10-18)38-14-36-23)40-32(20,41-31(21)28)19-6-8-24-27(12-19)39-15-37-24/h5-8,10,12,16,20,25,34H,9,11,13-15H2,1-4H3/t20-,25-,32?/m0/s1 |
| SMILES | COC1=C(C)C(O)=C(C(=O)CC(C)C)C2=C1C[C@H]1C[C@@H](C3=CC=C4OCOC4=C3)OC1(C1=CC=C3OCOC3=C1)O2 |
MNX internals
| InChI (mnx) | InChI=1/C32H32O9/c1-16(2)9-22(33)28-29(34)17(3)30(35-4)21-11-20-13-25(18-5-7-23-26(10-18)38-14-36-23)40-32(20,41-31(21)28)19-6-8-24-27(12-19)39-15-37-24/h5-8,10,12,16,20,25,34H,9,11,13-15H2,1-4H3/t20-,25-,32?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:9][C:22]([C:28]1=[C:31]2[C:21](=[C:30]([O:35][CH3:4])[C:17]([CH3:3])=[C:29]1[OH:34])[CH2:11][C@H:20]1[CH2:13][C@@H:25]([C:18]3=[CH:10][C:26]4=[C:23]([CH:7]=[CH:5]3)[O:36][CH2:14][O:38]4)[O:40][C:32]1([C:19]1=[CH:12][C:27]3=[C:24]([CH:8]=[CH:6]1)[O:37][CH2:15][O:39]3)[O:41]2)=[O:33] |
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