| Properties | Image |
|---|
| MNX_ID | MNXM1185660 |
 |
| reference | envipathM:...6896652996f2 |
| formula | C30H41NO6 |
| global charge | -2 |
| mol weight | 511.659 |
| InChIKey | QOQADCOYDIQJRO-XXCIQDTRSA-L |
| InChI | InChI=1S/C30H43NO6/c1-24(27(30(36)37)23-29(34)35)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-28(33)31-25-19-21-26(32)22-20-25/h4,6,9-12,19-22,24,27,32H,2-3,5,7-8,13-18,23H2,1H3,(H,31,33)(H,34,35)(H,36,37)/p-2/b6-4-,11-9-,12-10- |
| SMILES | CC(CCC/C=C\CCCC/C=C\C/C=C\CCCC(=O)NC1=CC=C(O)C=C1)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C30H43NO6/c1-24(27(30(36)37)23-29(34)35)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-28(33)31-25-19-21-26(32)22-20-25/h4,6,9-12,19-22,24,27,32H,2-3,5,7-8,13-18,23H2,1H3,(H,31,33)(H,34,35)(H,36,37)/b6-4-,11-9-,12-10-/t24?,27? |
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| SMILES (mnx) | [CH3:1][CH:24]([CH2:17][CH2:15][CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH2:5][CH2:3][CH2:2]/[CH:4]=[CH:6]\[CH2:8]/[CH:10]=[CH:12]\[CH2:14][CH2:16][CH2:18][C:28]([NH:31][C:25]1=[CH:20][CH:22]=[C:26]([OH:32])[CH:21]=[CH:19]1)=[O:33])[CH:27]([CH2:23][C:29](=[O:34])[OH:35])[C:30](=[O:36])[OH:37] |
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