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compound 0172749

PropertiesImage
MNX_IDMNXM1138414 Image of MNXM1138414
referenceenvipathM:...77b10f27c0c2
formulaC37H62O10
global charge0
mol weight666.893
InChIKeyYXJSODYOSUKHQX-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-6-7-8-10-15-20-28(39)21-16-13-14-19-24-35(42)45-29(26-38)27-44-34(41)23-18-12-9-11-17-22-31-32(46-31)25-33-37(47-33)36(43)30(40)4-2/h7-8,15,20,28-29,31-33,36-39,43H,3-6,9-14,16-19,21-27H2,1-2H3
SMILESCCCCC=CCC=CC(O)CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(=O)CC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-6-7-8-10-15-20-28(39)21-16-13-14-19-24-35(42)45-29(26-38)27-44-34(41)23-18-12-9-11-17-22-31-32(46-31)25-33-37(47-33)36(43)30(40)4-2/h7-8,15,20,28-29,31-33,36-39,43H,3-6,9-14,16-19,21-27H2,1-2H3/b8-7?,20-15?/t28?,29?,31?,32?,33?,36?,37? Image of MNXM1138414
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:10][CH:15]=[CH:20][CH:28]([CH2:21][CH2:16][CH2:13][CH2:14][CH2:19][CH2:24][C:35](=[O:42])[O:45][CH:29]([CH2:26][OH:38])[CH2:27][O:44][C:34]([CH2:23][CH2:18][CH2:12][CH2:9][CH2:11][CH2:17][CH2:22][CH:31]1[CH:32]([CH2:25][CH:33]2[CH:37]([CH:36]([C:30]([CH2:4][CH3:2])=[O:40])[OH:43])[O:47]2)[O:46]1)=[O:41])[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:...77b10f27c0c2
envipathM:...77b10f27c0c2
YXJSODYOSUKHQX-UHFFFAOYSA-N
compound 0172749