CHEBI:206798 - Botryosphaerin D

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ChEBI Name Botryosphaerin D
ChEBI ID CHEBI:206798
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(2,10-17)7-4-8-16(13,3)12(11)9-14(18)19/h12-13,17H,1,4-10H2,2-3H3,(H,18,19)/t12-,13-,15+,16+/m0/s1
InChIKey MWKMUMSWEZPDMP-WMHQRMGPSA-N
SMILES O=C(O)C[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@@]2(CO)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 D (CHEBI:206798) is a carboxylic acid (CHEBI:33575)
IUPAC Name
2-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid
Manual Xref Database
78441270 ChemSpider
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