CHEBI:219416 - Sterhirsutin G

ChEBI IDCHEBI:219416
ChEBI NameSterhirsutin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O8
Net Charge0
Average Mass538.637
Monoisotopic Mass538.25667
SMILESC=C1C(=O)C(OC(=O)[C@@]2(C)C[C@@H]3C[C@H]4C(=O)C(O)=C(COC)[C@@]4(C)[C@@H]3C2)=C2C[C@H]3C[C@](C)(C(=O)O)C[C@H]3[C@]12C
InChIInChI=1S/C31H38O8/c1-14-22(32)25(18-8-16-9-28(2,26(35)36)11-19(16)30(14,18)4)39-27(37)29(3)10-15-7-17-23(33)24(34)21(13-38-6)31(17,5)20(15)12-29/h15-17,19-20,34H,1,7-13H2,2-6H3,(H,35,36)/t15-,16-,17-,19+,20+,28-,29-,30+,31+/m0/s1
InChIKeySTIOSXDIQODUAH-NVECWKKRSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (26068271)
ChEBI Ontology
Outgoing Relation(s)
Sterhirsutin G (CHEBI:219416) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,3bR,5S,6aS)-1-[(3aS,3bR,5S,6aS,7aR)-2-hydroxy-3-(methoxymethyl)-3a,5-dimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carbonyl]oxy-3a,5-dimethyl-3-methylidene-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid