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CHEBI:204641 - Sterhirsutin K

ChEBI IDCHEBI:204641
ChEBI NameSterhirsutin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESC=C1C(=O)[C@H](OC(=O)c2c(C)cc(O)c(CC=C(C)C)c2O)[C@]2(OC)C[C@H]3C[C@](C)(C(=O)O)C[C@H]3[C@]12C
InChIInChI=1S/C29H36O8/c1-14(2)8-9-18-20(30)10-15(3)21(23(18)32)25(33)37-24-22(31)16(4)28(6)19-13-27(5,26(34)35)11-17(19)12-29(24,28)36-7/h8,10,17,19,24,30,32H,4,9,11-13H2,1-3,5-7H3,(H,34,35)/t17-,19-,24+,27+,28+,29-/m1/s1
InChIKeyZYJFDUIHHCEQNR-FLWLWLQRSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (26068271)
ChEBI Ontology
Outgoing Relation(s)
Sterhirsutin K (CHEBI:204641) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aR,3bR,5S,6aR,7aS)-1-[2,4-dihydroxy-6-methyl-3-(3-methylbut-2-enyl)benzoyl]oxy-7a-methoxy-3a,5-dimethyl-3-methylidene-2-oxo-1,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalene-5-carboxylic acid