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compound 0193585

PropertiesImage
MNX_IDMNXM1197583 Image of MNXM1197583
referenceenvipathM:...e88a160eaa01
formulaC37H62O10
global charge0
mol weight666.893
InChIKeyNQXPIMJVNVNMJP-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-24-34(41)45-28(26-38)27-44-37(43)30(40)22-19-17-18-20-23-31-32(46-31)25-33-36(47-33)35(42)29(39)4-2/h7-8,10-11,28,30-33,35-36,38,40,42H,3-6,9,12-27H2,1-2H3
SMILESCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)C(=O)CC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-24-34(41)45-28(26-38)27-44-37(43)30(40)22-19-17-18-20-23-31-32(46-31)25-33-36(47-33)35(42)29(39)4-2/h7-8,10-11,28,30-33,35-36,38,40,42H,3-6,9,12-27H2,1-2H3/b8-7?,11-10?/t28?,30?,31?,32?,33?,35?,36? Image of MNXM1197583
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:24][C:34](=[O:41])[O:45][CH:28]([CH2:26][OH:38])[CH2:27][O:44][C:37]([CH:30]([CH2:22][CH2:19][CH2:17][CH2:18][CH2:20][CH2:23][CH:31]1[CH:32]([CH2:25][CH:33]2[CH:36]([CH:35]([C:29]([CH2:4][CH3:2])=[O:39])[OH:42])[O:47]2)[O:46]1)[OH:40])=[O:43]
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:...e88a160eaa01
envipathM:...e88a160eaa01
NQXPIMJVNVNMJP-UHFFFAOYSA-N
compound 0193585