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CHEBI:180522 - Myricolal

ChEBI IDCHEBI:180522
ChEBI NameMyricolal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESCC1(C)CCC2(C=O)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1
InChIInChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,19-21,23-24,32H,8-9,11-18H2,1-7H3
InChIKeyIFVLEXPVJXHCAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
Myricolal (CHEBI:180522) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carbaldehyde
Manual XrefsDatabases
HMDB0033257HMDB
35013567ChemSpider