| Properties | Image |
|---|
| MNX_ID | MNXM105032 |
 |
| reference | chebi:65886 |
| formula | C35H46O10 |
| global charge | 0 |
| mol weight | 626.743 |
| InChIKey | FZKCYZNAORCYGO-YJKPJJMFSA-N |
| InChI | InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22+,28-,29+,30+,31-,32+,35+/m0/s1 |
| SMILES | CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@H](C)C[C@]12OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22+,28-,29+,30+,31-,32+,35+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:20]1/[CH:15]=[CH:16]/[C:34]([CH3:8])([CH3:9])[C@H:30]([O:42][C:24]([CH3:5])=[O:37])[CH2:18][C@@H:29]([O:41][C:23]([CH3:4])=[O:36])/[C:21]([CH3:2])=[CH:17]/[C@H:28]2[C@@H:31]([O:44][C:33]([C:27]3=[CH:13][CH:11]=[CH:10][CH:12]=[CH:14]3)=[O:40])[C@H:22]([CH3:3])[CH2:19][C@:35]2([O:45][C:26]([CH3:7])=[O:39])[C@@H:32]1[O:43][C:25]([CH3:6])=[O:38] |
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