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CHEBI:228033 - 3S-hydroxyharzianone

ChEBI IDCHEBI:228033
ChEBI Name3S-hydroxyharzianone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESCC1=C2C(=O)C[C@@]2(C)[C@@H]2C[C@@H]3[C@@H](O)C[C@@H](C)[C@@]2(CC1)C3(C)C
InChIInChI=1S/C20H30O2/c1-11-6-7-20-12(2)8-14(21)13(18(20,3)4)9-16(20)19(5)10-15(22)17(11)19/h12-14,16,21H,6-10H2,1-5H3/t12-,13-,14+,16+,19+,20-/m1/s1
InChIKeyKQUHUKAWDGLHKL-SVSSMPNYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2019.05.001)
ChEBI Ontology
Outgoing Relation(s)
3S-hydroxyharzianone (CHEBI:228033) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1R,8S,9S,11S,12S,14R)-12-hydroxy-4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-en-6-one
Manual XrefsDatabases
78434489ChemSpider