CHEBI:214132 - Botryosphaerin C

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ChEBI Name Botryosphaerin C
ChEBI ID CHEBI:214132
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H26O3
Net Charge 0
Average Mass 266.381
Monoisotopic Mass 266.18819
InChI InChI=1S/C16H26O3/c1-11-5-6-13-15(2,12(11)7-10-17)8-4-9-16(13,3)14(18)19/h12-13,17H,1,4-10H2,2-3H3,(H,18,19)/t12-,13+,15+,16-/m0/s1
InChIKey PWMRSBPOXWIARE-XNISGKROSA-N
SMILES O=C(O)[C@@]1([C@H]2[C@@]([C@H](C(=C)CC2)CCO)(CCC1)C)C
Metabolite of Species Details
Botryosphaeria (NCBI:txid45132) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Botryosphaerin C (CHEBI:214132) is a carboxylic acid (CHEBI:33575)
IUPAC Name
(1S,4aR,5S,8aR)-5-(2-hydroxyethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual Xref Database
78441129 ChemSpider
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