| Properties | Image |
|---|
| MNX_ID | MNXM52321 |
 |
| reference | lipidmapsM:LMPK12020128 |
| formula | C29H22O15 |
| global charge | 0 |
| mol weight | 610.48 |
| InChIKey | YEPUYRJJVLBSCO-JIPXPUAJSA-N |
| InChI | InChI=1S/C29H22O15/c30-15-1-10(2-16(31)24(15)37)27-21(36)9-14-22(43-27)7-13(42-28(40)11-3-17(32)25(38)18(33)4-11)8-23(14)44-29(41)12-5-19(34)26(39)20(35)6-12/h1-8,21,27,30-39H,9H2/t21-,27-/m1/s1 |
| SMILES | O=C(OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1)C1=CC(O)=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H22O15/c30-15-1-10(2-16(31)24(15)37)27-21(36)9-14-22(43-27)7-13(42-28(40)11-3-17(32)25(38)18(33)4-11)8-23(14)44-29(41)12-5-19(34)26(39)20(35)6-12/h1-8,21,27,30-39H,9H2/t21-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:10]([C@@H:27]2[C@H:21]([OH:36])[CH2:9][C:14]3=[C:22]([CH:7]=[C:13]([O:42][C:28]([C:11]4=[CH:3][C:17]([OH:32])=[C:25]([OH:38])[C:18]([OH:33])=[CH:4]4)=[O:40])[CH:8]=[C:23]3[O:44][C:29]([C:12]3=[CH:5][C:19]([OH:34])=[C:26]([OH:39])[C:20]([OH:35])=[CH:6]3)=[O:41])[O:43]2)[CH:2]=[C:16]([OH:31])[C:24]([OH:37])=[C:15]1[OH:30] |
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