| Properties | Image |
|---|
| MNX_ID | MNXM38746 |
 |
| reference | lipidmapsM:LMPK12112843 |
| formula | C30H26O15 |
| global charge | 0 |
| mol weight | 626.523 |
| InChIKey | IXPSEGJOLGZCSS-KIKPZLPZSA-N |
| InChI | InChI=1S/C30H26O15/c31-14-5-3-13(4-6-14)29-27(40)25(38)21-17(43-29)10-18(22(35)24(21)37)44-30-28(41)26(39)23(36)19(45-30)11-42-20(34)8-2-12-1-7-15(32)16(33)9-12/h1-10,19,23,26,28,30-33,35-37,39-41H,11H2/b8-2+/t19-,23-,26+,28-,30-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC(O)=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C(O)=C(C4=CC=C(O)C=C4)O3)C(O)=C2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H26O15/c31-14-5-3-13(4-6-14)29-27(40)25(38)21-17(43-29)10-18(22(35)24(21)37)44-30-28(41)26(39)23(36)19(45-30)11-42-20(34)8-2-12-1-7-15(32)16(33)9-12/h1-10,19,23,26,28,30-33,35-37,39-41H,11H2/b8-2+/t19-,23-,26+,28-,30-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:15]([OH:32])=[C:16]([OH:33])[CH:9]=[C:12]1/[CH:2]=[CH:8]/[C:20](=[O:34])[O:42][CH2:11][C@@H:19]1[C@@H:23]([OH:36])[C@H:26]([OH:39])[C@@H:28]([OH:41])[C@H:30]([O:44][C:18]2=[C:22]([OH:35])[C:24]([OH:37])=[C:21]3[C:17](=[CH:10]2)[O:43][C:29]([C:13]2=[CH:4][CH:6]=[C:14]([OH:31])[CH:5]=[CH:3]2)=[C:27]([OH:40])[C:25]3=[O:38])[O:45]1 |
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