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CHEBI:193435 - Galanal A

ChEBI IDCHEBI:193435
ChEBI NameGalanal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@]12CC=C(C=O)C[C@H](O)[C@]1(C=O)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3/t15-,16+,17-,19-,20-/m0/s1
InChIKeyUDKRLAJJSYRYRU-VYMYIBDJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Galanal A (CHEBI:193435) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(4aS,6aS,7S,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
Manual XrefsDatabases
2312481ChemSpider
Registry NumbersSources
CAS:104086-74-0ChemIDplus