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compound 0121563

PropertiesImage
MNX_IDMNXM1171739 Image of MNXM1171739
referenceenvipathM:...da04fe13887b
formulaC37H66O11
global charge0
mol weight686.924
InChIKeyBQNKPFRAAVPIFA-UHFFFAOYSA-N
InChIInChI=1S/C37H66O11/c1-2-3-4-11-19-30(41)37-33(48-37)21-13-8-6-10-15-23-36(44)46-27-28(39)26-45-35(43)22-14-9-5-7-12-20-32-34(47-32)25-31(42)29(40)18-16-17-24-38/h11,19,28-34,37-42H,2-10,12-18,20-27H2,1H3
SMILESCCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO
MNX internals
InChI (mnx)InChI=1/C37H66O11/c1-2-3-4-11-19-30(41)37-33(48-37)21-13-8-6-10-15-23-36(44)46-27-28(39)26-45-35(43)22-14-9-5-7-12-20-32-34(47-32)25-31(42)29(40)18-16-17-24-38/h11,19,28-34,37-42H,2-10,12-18,20-27H2,1H3/b19-11?/t28?,29?,30?,31?,32?,33?,34?,37? Image of MNXM1171739
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH:11]=[CH:19][CH:30]([CH:37]1[CH:33]([CH2:21][CH2:13][CH2:8][CH2:6][CH2:10][CH2:15][CH2:23][C:36](=[O:44])[O:46][CH2:27][CH:28]([CH2:26][O:45][C:35]([CH2:22][CH2:14][CH2:9][CH2:5][CH2:7][CH2:12][CH2:20][CH:32]2[CH:34]([CH2:25][CH:31]([CH:29]([CH2:18][CH2:16][CH2:17][CH2:24][OH:38])[OH:40])[OH:42])[O:47]2)=[O:43])[OH:39])[O:48]1)[OH:41]
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:...da04fe13887b
envipathM:...da04fe13887b
BQNKPFRAAVPIFA-UHFFFAOYSA-N
compound 0121563