EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183524 - Anabsin

ChEBI IDCHEBI:183524
ChEBI NameAnabsin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILES[H][C@]12OC(=O)[C@@H](C)[C@]1([H])CC[C@]1(C)O[C@@]3(C)[C@@H](O)[C@]4([H])[C@@]5([H])[C@]([H])(C(C)=C6[C@]5([H])[C@@](C)(O)CC[C@@]5([H])[C@H](C)C(=O)O[C@]65[H])[C@]23[C@@]41[H]
InChIInChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18+,19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m0/s1
InChIKeyOVZIMEDUADJHPN-BLQGRMASSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
Anabsin (CHEBI:183524) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,2R,5S,8S,9S,12S,13R,14R,15R,16S,17R,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione
Manual XrefsDatabases
23326394ChemSpider