| Properties | Image |
|---|
| MNX_ID | MNXM45813 |
 |
| reference | lipidmapsM:LMPK12020102 |
| formula | C29H22O14 |
| global charge | 0 |
| mol weight | 594.481 |
| InChIKey | OVHMMCMRYOPGQY-KDYSTLNUSA-N |
| InChI | InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-3-17(32)25(37)18(33)4-12)10-21(36)27(41-22)11-1-2-16(31)24(7-11)43-29(40)13-5-19(34)26(38)20(35)6-13/h1-9,21,27,30-38H,10H2/t21-,27+/m0/s1 |
| SMILES | O=C(OC1=CC([C@H]2OC3=C(C[C@@H]2O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C3)=CC=C1O)C1=CC(O)=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-3-17(32)25(37)18(33)4-12)10-21(36)27(41-22)11-1-2-16(31)24(7-11)43-29(40)13-5-19(34)26(38)20(35)6-13/h1-9,21,27,30-38H,10H2/t21-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:16]([OH:31])=[C:24]([O:43][C:29]([C:13]2=[CH:5][C:19]([OH:34])=[C:26]([OH:38])[C:20]([OH:35])=[CH:6]2)=[O:40])[CH:7]=[C:11]1[C@@H:27]1[C@@H:21]([OH:36])[CH2:10][C:15]2=[C:22]([CH:8]=[C:14]([OH:30])[CH:9]=[C:23]2[O:42][C:28]([C:12]2=[CH:3][C:17]([OH:32])=[C:25]([OH:37])[C:18]([OH:33])=[CH:4]2)=[O:39])[O:41]1 |
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