EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204242 - Sterhirsutin B

ChEBI IDCHEBI:204242
ChEBI NameSterhirsutin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O4
Net Charge0
Average Mass466.662
Monoisotopic Mass466.30831
SMILESC/C1=C\CC(C)(C)/C=C/C[C@]2(C)OC3=C(C[C@H]2CC1)[C@@]1(C)[C@@H]2C[C@@](C)(C(=O)O)C[C@@H]2C[C@H]1C3=O
InChIInChI=1S/C30H42O4/c1-18-8-9-20-15-22-25(34-29(20,5)12-7-11-27(2,3)13-10-18)24(31)21-14-19-16-28(4,26(32)33)17-23(19)30(21,22)6/h7,10-11,19-21,23H,8-9,12-17H2,1-6H3,(H,32,33)/b11-7+,18-10+/t19-,20+,21-,23+,28-,29-,30-/m0/s1
InChIKeyHWSXFPLTMMDVHW-FLCGTZTDSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (25215649)
ChEBI Ontology
Outgoing Relation(s)
Sterhirsutin B (CHEBI:204242) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,4S,5R,7S,9S,11R,15S,17E,21E)-4,7,15,19,19,22-hexamethyl-12-oxo-14-oxapentacyclo[13.9.0.03,13.04,11.05,9]tetracosa-3(13),17,21-triene-7-carboxylic acid
Manual XrefsDatabases
78440983ChemSpider