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CHEBI:213378 - Harziandione

Default Structure
ChEBI IDCHEBI:213378
ChEBI NameHarziandione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESCC1=C2C(=O)C[C@@]2(C)[C@@H]2C[C@@H]3C(=O)C[C@@H](C)[C@@]2(CC1)C3(C)C
InChIInChI=1S/C20H28O2/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/h12-13,16H,6-10H2,1-5H3/t12-,13-,16+,19+,20-/m1/s1
InChIKeyKRCGGWPCKKCUQE-GECVKMDCSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1021/np50089a023)
ChEBI Ontology
Outgoing Relation(s)
Harziandione (CHEBI:213378) is a ketone (CHEBI:17087)
IUPAC Name 
(1R,8S,9S,11S,14R)-4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione
Manual XrefsDatabases
78439786ChemSpider