MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Feedback

3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide

	Properties	Image
MNX_ID	MNXM1368802
reference	chebi:49195
formula	C₂₀H₂₈O₃
global charge	0
mol weight	316.441
InChIKey	SPZLJXUKZRAIQP-KSYFULEYSA-N
InChI	InChI=1S/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1
SMILES	C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]2(C)CC[C@@H]4O)C1

MNX internals

InChI (mnx)	InChI=1/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1
SMILES (mnx)	[CH2:1]1[CH2:2][C@@H:17]([CH3:18])[C@:19]2([CH3:16])[C@@H:10]3[C@:4]1([CH3:14])[C@@H:7]1[CH2:5][CH2:6][C@:12]([CH:11]=[CH2:13])([CH3:15])[CH2:9][C:8]1=[CH:3][C@@H:20]3[O:21][O:22]2=[O:23]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49195 chebi:49195 SPZLJXUKZRAIQP-KSYFULEYSA-N	3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide 3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide 3beta-hydroxy-6beta,18-epoxy-9beta-pimara-7,15-dien-18-one
kegg.compound:C18016 keggC:C18016 SPZLJXUKZRAIQP-KSYFULEYSA-N	3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide
seed.compound:cpd17999 seedM:cpd17999 SPZLJXUKZRAIQP-KSYFULEYSA-N	3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide 3beta-hydroxy-9beta-pimara-7,15-diene-19,6beta-olide
lipidmaps:LMPR0104080003 lipidmapsM:LMPR0104080003 SPZLJXUKZRAIQP-KSYFULEYSA-N	3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide 3beta-hydroxy-6beta,18-epoxy-9beta-pimara-7,15-dien-18-one
chebi:58791 keggC:M_C18016 seedM:M_cpd17999	secondary/obsolete/fantasy identifier