| Properties | Image |
|---|
| MNX_ID | MNXM61206 |
 |
| reference | lipidmapsM:LMPK12140135 |
| formula | C29H34O13 |
| global charge | 0 |
| mol weight | 590.578 |
| InChIKey | GFQPYMAACFELLT-IZPXHLOXSA-N |
| InChI | InChI=1S/C29H34O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-8,17-18,23-25,28,34-38H,9-12H2,1-3H3,(H,31,32)/t17-,18+,23+,24-,25+,28-,29?/m0/s1 |
| SMILES | CC1=C(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)=C2O[C@H](C3=CC=CC=C3)CC(=O)C2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H34O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-8,17-18,23-25,28,34-38H,9-12H2,1-3H3,(H,31,32)/t17-,18+,23+,24-,25+,28-,29?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[C:26]([O:42][C@H:28]2[C@H:25]([OH:37])[C@@H:24]([OH:36])[C@H:23]([OH:35])[C@@H:18]([CH2:12][O:39][C:20]([CH2:11][C:29]([CH3:3])([CH2:10][C:19](=[O:31])[OH:32])[OH:38])=[O:33])[O:41]2)[C:14]([CH3:2])=[C:27]2[C:21](=[C:22]1[OH:34])[C:16](=[O:30])[CH2:9][C@@H:17]([C:15]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[O:40]2 |
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