Search MNXref
 Feedback

compound 0206116

PropertiesImage
MNX_IDMNXM1188589 Image of MNXM1188589
referenceenvipathM:...463f91bd1c61
formulaC37H66O10
global charge0
mol weight670.925
InChIKeyOADHAKLOAHAXSL-UHFFFAOYSA-N
InChIInChI=1S/C37H66O10/c1-3-5-6-13-19-24-33(41)37(45)34(42)25-20-16-17-21-26-35(43)46-29-30(28-38)47-36(44)27-22-15-12-10-8-7-9-11-14-18-23-32(40)31(39)4-2/h9,11,13,18-19,23,30-34,37-42,45H,3-8,10,12,14-17,20-22,24-29H2,1-2H3
SMILESCCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC
MNX internals
InChI (mnx)InChI=1/C37H66O10/c1-3-5-6-13-19-24-33(41)37(45)34(42)25-20-16-17-21-26-35(43)46-29-30(28-38)47-36(44)27-22-15-12-10-8-7-9-11-14-18-23-32(40)31(39)4-2/h9,11,13,18-19,23,30-34,37-42,45H,3-8,10,12,14-17,20-22,24-29H2,1-2H3/b11-9?,19-13?,23-18?/t30?,31?,32?,33?,34?,37? Image of MNXM1188589
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH:13]=[CH:19][CH2:24][CH:33]([CH:37]([CH:34]([CH2:25][CH2:20][CH2:16][CH2:17][CH2:21][CH2:26][C:35](=[O:43])[O:46][CH2:29][CH:30]([CH2:28][OH:38])[O:47][C:36]([CH2:27][CH2:22][CH2:15][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:18]=[CH:23][CH:32]([CH:31]([CH2:4][CH3:2])[OH:39])[OH:40])=[O:44])[OH:42])[OH:45])[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:...463f91bd1c61
envipathM:...463f91bd1c61
OADHAKLOAHAXSL-UHFFFAOYSA-N
compound 0206116