CHEBI:167972 - Bassic acid

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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 Bassic acid
ChEBI ID CHEBI:167972
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H46O5
Net Charge 0
Average Mass 486.693
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35)/t19-,20-,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey FJGGNIPUSLFYJJ-QJTVMKANSA-N
SMILES O[C@H]1C[C@@]2([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O)=O)[H])=CC3)C)(CC=C2[C@@]([C@H]1O)(CO)C)C)[H])C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Bassic acid (CHEBI:167972) is a triterpenoid (CHEBI:36615)
IUPAC Name
(4aS,6aS,6aS,6bR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
Manual Xref Database
141009 ChemSpider
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Registry Number Type Source
465-01-0 CAS Registry Number ChemIDplus