Search MNXref
 Feedback

Ent-kauran-17,19-dioic acid

MNXM18812 is deprecated and here replaced by MNXM1368716
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368716 Image of MNXM1368716
referencechebi:181544
formulaC20H30O4
global charge0
mol weight334.456
InChIKeyHITLMPHPGUZLGI-UHFFFAOYSA-N
InChIInChI=1S/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)
SMILESCC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4C(=O)O
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12?,13?,14?,15?,18?,19?,20? Image of MNXM1368716
SMILES (mnx)[CH3:1][C:18]12[CH2:7][CH2:3][CH2:8][C:19]([CH3:2])([C:17](=[O:23])[OH:24])[CH:14]1[CH2:6][CH2:9][C:20]13[CH2:10][CH:12]([CH2:4][CH2:5][CH:15]21)[CH:13]([C:16](=[O:21])[OH:22])[CH2:11]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181544
chebi:181544
HITLMPHPGUZLGI-UHFFFAOYSA-N 		Ent-kauran-17,19-dioic acid
5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarboxylic acid

seed.compound:cpd23923
seedM:cpd23923
HITLMPHPGUZLGI-UHFFFAOYSA-L 		ent-kauran-17,19-dioate
ent-kauran-17,19-dioic acid
kauralexin A2

seedM:M_cpd23923 		secondary/obsolete/fantasy identifier