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CHEBI:225431 - 19-Hydroxylabda-8(17),13-dien-16,15-olid

ChEBI IDCHEBI:225431
ChEBI Name19-Hydroxylabda-8(17),13-dien-16,15-olid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C1CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O
InChIInChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m0/s1
InChIKeyWKKBRRFSRMDTJB-RAUXBKROSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (16643055)
ChEBI Ontology
Outgoing Relation(s)
19-Hydroxylabda-8(17),13-dien-16,15-olid (CHEBI:225431) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
4-[2-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one
Manual XrefsDatabases
10334581ChemSpider