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compound 0143300

PropertiesImage
MNX_IDMNXM1171290 Image of MNXM1171290
referenceenvipathM:...79cd3625c6ea
formulaC37H62O10
global charge0
mol weight666.893
InChIKeyAGKXCSVTFVERKO-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-7-15-20-28(39)21-16-11-8-9-12-17-22-30(40)37(43)45-29(26-38)27-44-33(41)25-19-14-10-13-18-24-32-36(47-32)34(42)35-31(46-35)23-6-4-2/h15-16,20-21,28-29,31-32,34-36,38-39,42H,3-14,17-19,22-27H2,1-2H3
SMILESCCCCC=CC(O)C=CCCCCCCC(=O)C(=O)OC(CO)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-7-15-20-28(39)21-16-11-8-9-12-17-22-30(40)37(43)45-29(26-38)27-44-33(41)25-19-14-10-13-18-24-32-36(47-32)34(42)35-31(46-35)23-6-4-2/h15-16,20-21,28-29,31-32,34-36,38-39,42H,3-14,17-19,22-27H2,1-2H3/b20-15?,21-16?/t28?,29?,31?,32?,34?,35?,36? Image of MNXM1171290
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:15]=[CH:20][CH:28]([CH:21]=[CH:16][CH2:11][CH2:8][CH2:9][CH2:12][CH2:17][CH2:22][C:30]([C:37](=[O:43])[O:45][CH:29]([CH2:26][OH:38])[CH2:27][O:44][C:33]([CH2:25][CH2:19][CH2:14][CH2:10][CH2:13][CH2:18][CH2:24][CH:32]1[CH:36]([CH:34]([CH:35]2[CH:31]([CH2:23][CH2:6][CH2:4][CH3:2])[O:46]2)[OH:42])[O:47]1)=[O:41])=[O:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...79cd3625c6ea
envipathM:...79cd3625c6ea
AGKXCSVTFVERKO-UHFFFAOYSA-N
compound 0143300