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Isoannoreticuin

PropertiesImage
MNX_IDMNXM126787 Image of MNXM126787
referencechebi:190797
formulaC35H64O7
global charge0
mol weight596.89
InChIKeyFGLYVGRJXTUDRE-UHFFFAOYSA-N
InChIInChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCC(O)CCCCC2CC(CC(C)=O)C(=O)O2)O1
MNX internals
InChI (mnx)InChI=1/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28?,29?,30?,31?,32?,33?,34? Image of MNXM126787
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:14][CH2:21][CH:31]([CH:33]1[CH2:23][CH2:24][CH:34]([CH:32]([CH2:22][CH2:15][CH2:12][CH2:13][CH2:18][CH:29]([CH2:19][CH2:16][CH2:17][CH2:20][CH:30]2[CH2:26][CH:28]([CH2:25][C:27]([CH3:2])=[O:36])[C:35](=[O:40])[O:41]2)[OH:37])[OH:39])[O:42]1)[OH:38]
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

CHEBI:190797
chebi:190797
FGLYVGRJXTUDRE-UHFFFAOYSA-N
Isoannoreticuin
5-[5,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
hmdb:HMDB0039604
FGLYVGRJXTUDRE-UHFFFAOYSA-N
Isoannoreticuin
5-{5,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}-3-(2-oxopropyl)oxolan-2-one

hmdb:HMDB39604
secondary/obsolete/fantasy identifier