| Properties | Image |
|---|
| MNX_ID | MNXM45328 |
 |
| reference | lipidmapsM:LMPK12140545 |
| formula | C35H34O8 |
| global charge | 0 |
| mol weight | 582.649 |
| InChIKey | JHPJOKVLYIDVMB-DXOCUVQASA-N |
| InChI | InChI=1S/C35H34O8/c1-41-32-19-28(39)33(35-34(32)29(40)18-31(43-35)22-7-13-26(38)14-8-22)23-16-27(15-4-20-2-9-24(36)10-3-20)42-30(17-23)21-5-11-25(37)12-6-21/h2-3,5-14,19,23,27,30-31,36-39H,4,15-18H2,1H3/t23-,27+,30+,31?/m1/s1 |
| SMILES | COC1=C2C(=O)CC(C3=CC=C(O)C=C3)OC2=C([C@@H]2C[C@H](CCC3=CC=C(O)C=C3)O[C@H](C3=CC=C(O)C=C3)C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H34O8/c1-41-32-19-28(39)33(35-34(32)29(40)18-31(43-35)22-7-13-26(38)14-8-22)23-16-27(15-4-20-2-9-24(36)10-3-20)42-30(17-23)21-5-11-25(37)12-6-21/h2-3,5-14,19,23,27,30-31,36-39H,4,15-18H2,1H3/t23-,27+,30+,31?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:32]1=[C:34]2[C:29](=[O:40])[CH2:18][CH:31]([C:22]3=[CH:8][CH:14]=[C:26]([OH:38])[CH:13]=[CH:7]3)[O:43][C:35]2=[C:33]([C@@H:23]2[CH2:16][C@H:27]([CH2:15][CH2:4][C:20]3=[CH:3][CH:10]=[C:24]([OH:36])[CH:9]=[CH:2]3)[O:42][C@H:30]([C:21]3=[CH:6][CH:12]=[C:25]([OH:37])[CH:11]=[CH:5]3)[CH2:17]2)[C:28]([OH:39])=[CH:19]1 |
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