CHEBI:193435 - Galanal A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Galanal A
ChEBI ID CHEBI:193435
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=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
InChIKey UDKRLAJJSYRYRU-VYMYIBDJSA-N
SMILES O[C@@H]1[C@]2([C@@]([C@@]3([C@](C(CCC3)(C)C)(CC2)[H])C)(CC=C(C1)C=O)[H])C=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2312481 ChemSpider
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Registry Number Type Source
104086-74-0 CAS Registry Number ChemIDplus