| Properties | Image |
|---|
| MNX_ID | MNXM104212 |
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| reference | chebi:65718 |
| formula | C32H36O10 |
| global charge | 0 |
| mol weight | 580.63 |
| InChIKey | NUJLMXRQKUYQKE-UHFFFAOYSA-N |
| InChI | InChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38) |
| SMILES | CCCCCC1=CC(OC(=O)C2=C(O)C=C(OC(=O)C3=C(O)C=C(O)C=C3CCC)C=C2CCC)=CC(O)=C1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38) |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH2:11][C:20]1=[CH:14][C:23]([O:42][C:32]([C:29]2=[C:26]([OH:36])[CH:17]=[C:22]([O:41][C:31]([C:28]3=[C:24]([OH:34])[CH:15]=[C:21]([OH:33])[CH:12]=[C:18]3[CH2:9][CH2:5][CH3:2])=[O:39])[CH:13]=[C:19]2[CH2:10][CH2:6][CH3:3])=[O:40])=[CH:16][C:25]([OH:35])=[C:27]1[C:30](=[O:37])[OH:38] |
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