CHEBI:230609 - mastigophorene 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 mastigophorene a
ChEBI ID CHEBI:230609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H42O4
Net Charge 0
Average Mass 466.662
Monoisotopic Mass 466.30831
InChI InChI=1S/C30H42O4/c1-17-15-19(29(7)13-9-11-27(29,3)4)23(31)25(33)21(17)22-18(2)16-20(24(32)26(22)34)30(8)14-10-12-28(30,5)6/h15-16,31-34H,9-14H2,1-8H3/t29-,30-/m1/s1
InChIKey TZWQPPFRZCEUCT-LOYHVIPDSA-N
SMILES OC1=C([C@@]2(C(CCC2)(C)C)C)C=C(C(C=3C(=CC([C@@]4(C(CCC4)(C)C)C)=C(O)C3O)C)=C1O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing mastigophorene a (CHEBI:230609) is a organic molecular entity (CHEBI:50860)
IUPAC Name
3-[2,3-dihydroxy-6-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]-4-methyl-6-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
Manual Xref Database
8610138 ChemSpider
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