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CHEBI:15419 - ent-7α-hydroxykaur-16-en-19-oic acid

ChEBI IDCHEBI:15419
ChEBI Nameent-7α-hydroxykaur-16-en-19-oic acid
Stars
ASCII Nameent-7alpha-hydroxykaur-16-en-19-oic acid
DefinitionAn ent-kaurane diterpenoid that is ent-kaur-16-en-19-oic acid carrying an additional 7α-hydroxy substituent.
Secondary ChEBI IDsCHEBI:10838, CHEBI:12812, CHEBI:23918, CHEBI:29734
Last Modified9 December 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@]12C[C@H](O)[C@]34CC(=C)[C@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O)C4
InChIInChI=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)/t13-,14+,15+,16+,18+,19-,20+/m1/s1
InChIKeyKMLXVEXJZSTMBV-YDIYEOSVSA-N
ChEBI Ontology
Outgoing Relation(s)
ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419) is a ent-kaurane diterpenoid (CHEBI:36760)
ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419) is conjugate acid of ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298)
Incoming Relation(s)
ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298) is conjugate base of ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419)
IUPAC Name 
ent-7α-hydroxykaur-16-en-19-oic acid
Synonyms  Source
ent-7alpha-Hydroxykaur-16-en-19-oic acidKEGG COMPOUND
(-)-Kaur-16-en-7beta-ol-19-oic acidKEGG COMPOUND
ent-7α-hydroxykaurenoic acidLIPID MAPS
(5β,7β,8α,9β,10α,13α)-7-hydroxykaur-16-en-18-oic acidIUPAC
Manual XrefsDatabases
C11875KEGG COMPOUND
LMPR0104540005LIPID MAPS
CPD1F-136MetaCyc
C00000877KNApSAcK
Registry NumbersSources
Reaxys:2158759Reaxys
CAS:21435-01-8KEGG COMPOUND
Citations