| Properties | Image |
|---|
| MNX_ID | MNXM28064 |
 |
| reference | lipidmapsM:LMPK12140461 |
| formula | C30H38O15 |
| global charge | 0 |
| mol weight | 638.619 |
| InChIKey | CPNDUJFPOGZJOE-PYSLUGSRSA-N |
| InChI | InChI=1S/C30H38O15/c1-12-23(32)25(34)27(36)29(42-12)41-11-21-24(33)26(35)28(37)30(45-21)43-13-5-6-15(17(7-13)39-3)18-10-16(31)22-19(40-4)8-14(38-2)9-20(22)44-18/h5-9,12,18,21,23-30,32-37H,10-11H2,1-4H3/t12-,18?,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1 |
| SMILES | COC1=CC(OC)=C2C(=O)CC(C3=C(OC)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3)OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H38O15/c1-12-23(32)25(34)27(36)29(42-12)41-11-21-24(33)26(35)28(37)30(45-21)43-13-5-6-15(17(7-13)39-3)18-10-16(31)22-19(40-4)8-14(38-2)9-20(22)44-18/h5-9,12,18,21,23-30,32-37H,10-11H2,1-4H3/t12-,18?,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:12]1[C@H:23]([OH:32])[C@@H:25]([OH:34])[C@@H:27]([OH:36])[C@H:29]([O:41][CH2:11][C@@H:21]2[C@@H:24]([OH:33])[C@H:26]([OH:35])[C@@H:28]([OH:37])[C@H:30]([O:43][C:13]3=[CH:7][C:17]([O:39][CH3:3])=[C:15]([CH:18]4[CH2:10][C:16](=[O:31])[C:22]5=[C:19]([O:40][CH3:4])[CH:8]=[C:14]([O:38][CH3:2])[CH:9]=[C:20]5[O:44]4)[CH:6]=[CH:5]3)[O:45]2)[O:42]1 |
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