| Properties | Image |
|---|
| MNX_ID | MNXM1182687 |
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| reference | envipathM:...3ecdbffb7f87 |
| formula | C37H64O9 |
| global charge | 0 |
| mol weight | 652.91 |
| InChIKey | PHCLPBYMTRZGGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O9/c1-3-5-7-12-19-25-33(40)34(41)26-20-15-11-16-22-28-36(43)45-30-32(29-38)46-37(44)35(42)27-21-14-10-9-13-18-24-31(39)23-17-8-6-4-2/h12,17-19,23-24,29,31-35,39-42H,3-11,13-16,20-22,25-28,30H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(C=O)OC(=O)C(O)CCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O9/c1-3-5-7-12-19-25-33(40)34(41)26-20-15-11-16-22-28-36(43)45-30-32(29-38)46-37(44)35(42)27-21-14-10-9-13-18-24-31(39)23-17-8-6-4-2/h12,17-19,23-24,29,31-35,39-42H,3-11,13-16,20-22,25-28,30H2,1-2H3/b19-12?,23-17?,24-18?/t31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:19][CH2:25][CH:33]([CH:34]([CH2:26][CH2:20][CH2:15][CH2:11][CH2:16][CH2:22][CH2:28][C:36](=[O:43])[O:45][CH2:30][CH:32]([CH:29]=[O:38])[O:46][C:37]([CH:35]([CH2:27][CH2:21][CH2:14][CH2:10][CH2:9][CH2:13][CH:18]=[CH:24][CH:31]([CH:23]=[CH:17][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:42])=[O:44])[OH:41])[OH:40] |
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