CHEBI:197047 - Monic acid

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ChEBI Name Monic acid
ChEBI ID CHEBI:197047
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O7
Net Charge 0
Average Mass 344.404
Monoisotopic Mass 344.18350
InChI InChI=1S/C17H28O7/c1-8(5-14(19)20)4-12-16(22)15(21)11(7-23-12)6-13-17(24-13)9(2)10(3)18/h5,9-13,15-18,21-22H,4,6-7H2,1-3H3,(H,19,20)/b8-5+/t9-,10-,11-,12-,13-,15+,16-,17-/m0/s1
InChIKey IUBMRJVNZLQSHU-FDJBSCRHSA-N
SMILES O1[C@H]([C@@H]1[C@H]([C@@H](O)C)C)C[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OC2)C/C(/C)=C/C(O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Monic acid (CHEBI:197047) is a epoxy fatty acid (CHEBI:61498)
IUPAC Name
(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoic acid
Manual Xref Database
8422393 ChemSpider
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