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compound 0198350

PropertiesImage
MNX_IDMNXM1177083 Image of MNXM1177083
referenceenvipathM:...9d37c9abebfa
formulaC37H66O11
global charge0
mol weight686.924
InChIKeyJIFKMBXBJJYZRX-UHFFFAOYSA-N
InChIInChI=1S/C37H66O11/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-25-32(41)47-28(26-38)27-46-31(40)24-21-19-16-17-20-23-30-37(48-30)36(45)35(44)34(43)33(42)29(39)4-2/h7-8,10-11,28-30,33-39,42-45H,3-6,9,12-27H2,1-2H3
SMILESCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)C(O)C(O)CC
MNX internals
InChI (mnx)InChI=1/C37H66O11/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-25-32(41)47-28(26-38)27-46-31(40)24-21-19-16-17-20-23-30-37(48-30)36(45)35(44)34(43)33(42)29(39)4-2/h7-8,10-11,28-30,33-39,42-45H,3-6,9,12-27H2,1-2H3/b8-7?,11-10?/t28?,29?,30?,33?,34?,35?,36?,37? Image of MNXM1177083
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][CH2:18][CH2:22][CH2:25][C:32](=[O:41])[O:47][CH:28]([CH2:26][OH:38])[CH2:27][O:46][C:31]([CH2:24][CH2:21][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH:30]1[CH:37]([CH:36]([CH:35]([CH:34]([CH:33]([CH:29]([CH2:4][CH3:2])[OH:39])[OH:42])[OH:43])[OH:44])[OH:45])[O:48]1)=[O: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:...9d37c9abebfa
envipathM:...9d37c9abebfa
JIFKMBXBJJYZRX-UHFFFAOYSA-N
compound 0198350