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compound 0165333

PropertiesImage
MNX_IDMNXM1138014 Image of MNXM1138014
referenceenvipathM:...d0257a9fa717
formulaC37H68O11
global charge0
mol weight688.94
InChIKeyDPXPVOPPAXUGMH-UHFFFAOYSA-N
InChIInChI=1S/C37H68O11/c1-2-3-4-6-11-18-29(40)30(41)19-12-7-5-8-15-23-36(43)45-26-28(39)27-46-37(44)31(42)20-13-9-10-14-21-32-34(47-32)25-35-33(48-35)22-16-17-24-38/h28-35,38-42H,2-27H2,1H3
SMILESCCCCCCCC(O)C(O)CCCCCCCC(=O)OCC(O)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCCO
MNX internals
InChI (mnx)InChI=1/C37H68O11/c1-2-3-4-6-11-18-29(40)30(41)19-12-7-5-8-15-23-36(43)45-26-28(39)27-46-37(44)31(42)20-13-9-10-14-21-32-34(47-32)25-35-33(48-35)22-16-17-24-38/h28-35,38-42H,2-27H2,1H3/t28?,29?,30?,31?,32?,33?,34?,35? Image of MNXM1138014
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:6][CH2:11][CH2:18][CH:29]([CH:30]([CH2:19][CH2:12][CH2:7][CH2:5][CH2:8][CH2:15][CH2:23][C:36](=[O:43])[O:45][CH2:26][CH:28]([CH2:27][O:46][C:37]([CH:31]([CH2:20][CH2:13][CH2:9][CH2:10][CH2:14][CH2:21][CH:32]1[CH:34]([CH2:25][CH:35]2[CH:33]([CH2:22][CH2:16][CH2:17][CH2:24][OH:38])[O:48]2)[O:47]1)[OH:42])=[O:44])[OH:39])[OH:41])[OH:40]
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:...d0257a9fa717
envipathM:...d0257a9fa717
DPXPVOPPAXUGMH-UHFFFAOYSA-N
compound 0165333