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

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ent-7alpha-hydroxykaur-16-en-19-oate

MNXM1825 is deprecated and here replaced by MNXM731920
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM731920
reference	chebi:57298
formula	C₂₀H₂₉O₃
global charge	-1
mol weight	317.449
InChIKey	KMLXVEXJZSTMBV-YDIYEOSVSA-M
InChI	InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/p-1/t13-,14+,15+,16+,18+,19-,20+/m1/s1
SMILES	C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1C[C@@H]3O

MNX internals

InChI (mnx)	InChI=1/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20+/m1/s1
SMILES (mnx)	[CH2:1]=[C:12]1[CH2:10][C@:20]23[CH2:11][C@H:13]1[CH2:5][CH2:6][C@H:14]2[C@:18]1([CH3:2])[CH2:7][CH2:4][CH2:8][C@@:19]([CH3:3])([C:17](=[O:22])[OH:23])[C@H:15]1[CH2:9][C@@H:16]3[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57298 chebi:57298 KMLXVEXJZSTMBV-YDIYEOSVSA-M	ent-7alpha-hydroxykaur-16-en-19-oate
seed.compound:cpd08673 seedM:cpd08673 KMLXVEXJZSTMBV-YDIYEOSVSA-M	(-)-Kaur-16-en-7beta-ol-19-oic acid 7-hydroxy-kaurenoic acid ent-7-alpha-hydroxykaurenoate ent-7-alpha-hydroxykaurenoic acid ent-7alpha-Hydroxykaur-16-en-19-oate ent-7alpha-Hydroxykaur-16-en-19-oic acid ent-7alpha-hydroxykaur-16-en-19-oate
kegg.compound:C11875 keggC:C11875 KMLXVEXJZSTMBV-YDIYEOSVSA-N	ent-7alpha-Hydroxykaur-16-en-19-oic acid (-)-Kaur-16-en-7beta-ol-19-oic acid ent-7alpha-Hydroxykaur-16-en-19-oate
metacyc.compound:CPD1F-136 metacycM:CPD1F-136 KMLXVEXJZSTMBV-YDIYEOSVSA-M	ent-7alpha-hydroxykaur-16-en-19-oate 7-hydroxy-kaurenoic acid ent-7-alpha-hydroxykaurenoate ent-7-alpha-hydroxykaurenoic acid
CHEBI:15419 chebi:15419 KMLXVEXJZSTMBV-YDIYEOSVSA-N	ent-7alpha-hydroxykaur-16-en-19-oic acid (-)-Kaur-16-en-7beta-ol-19-oic acid (5beta,7beta,8alpha,9beta,10alpha,13alpha)-7-hydroxykaur-16-en-18-oic acid ent-7alpha-Hydroxykaur-16-en-19-oic acid ent-7alpha-hydroxykaurenoic acid
chebi:10838 chebi:12812 chebi:23918 chebi:29734 keggC:M_C11875 seedM:M_cpd08673	secondary/obsolete/fantasy identifier