| Properties | Image |
|---|
| MNX_ID | MNXM109161 |
 |
| reference | chebi:66190 |
| formula | C30H36O7 |
| global charge | 0 |
| mol weight | 508.611 |
| InChIKey | YMILJRPIVTZKTL-OCFJWBBSSA-N |
| InChI | InChI=1S/C30H36O7/c1-16(2)7-6-8-18(5)9-10-20-19(11-12-22(31)29(20)35)26-15-25(34)28-27(37-26)14-24(33)21(30(28)36)13-23(32)17(3)4/h7,9,11-12,14,23,26,31-33,35-36H,3,6,8,10,13,15H2,1-2,4-5H3/b18-9+/t23?,26-/m0/s1 |
| SMILES | C=C(C)C(O)CC1=C(O)C=C2O[C@H](C3=C(C/C=C(\C)CCC=C(C)C)C(O)=C(O)C=C3)CC(=O)C2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C30H36O7/c1-16(2)7-6-8-18(5)9-10-20-19(11-12-22(31)29(20)35)26-15-25(34)28-27(37-26)14-24(33)21(30(28)36)13-23(32)17(3)4/h7,9,11-12,14,23,26,31-33,35-36H,3,6,8,10,13,15H2,1-2,4-5H3/b18-9+/t23?,26-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:16]([CH3:2])=[CH:7][CH2:6][CH2:8]/[C:18]([CH3:5])=[CH:9]/[CH2:10][C:20]1=[C:19]([C@@H:26]2[CH2:15][C:25](=[O:34])[C:28]3=[C:27]([CH:14]=[C:24]([OH:33])[C:21]([CH2:13][CH:23]([C:17](=[CH2:3])[CH3:4])[OH:32])=[C:30]3[OH:36])[O:37]2)[CH:11]=[CH:12][C:22]([OH:31])=[C:29]1[OH:35] |
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