CHEBI:227866 - Hamigeran J

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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 Hamigeran J
ChEBI ID CHEBI:227866
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25BrO5
Net Charge 0
Average Mass 425.319
Monoisotopic Mass 424.08854
InChI InChI=1S/C20H25BrO5/c1-9(2)11-6-7-19(4)13(11)12-8-10(3)15(21)16(22)14(12)20(25,17(19)23)18(24)26-5/h8-9,11,13,22,25H,6-7H2,1-5H3/t11-,13-,19-,20+/m1/s1
InChIKey WTZGVMPCXJOOJF-BJYQWAJSSA-N
SMILES BrC1=C(O)C2=C([C@@H]3[C@](CC[C@@H]3C(C)C)(C)C([C@]2(O)C(=O)OC)=O)C=C1C
Metabolite of Species Details
Hamigera (NCBI:txid39196) See: PubMed
ChEBI Ontology
Outgoing Hamigeran J (CHEBI:227866) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
methyl (1R,3aR,5S,9bR)-7-bromo-5,6-dihydroxy-3a,8-dimethyl-4-oxo-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-5-carboxylate
Manual Xref Database
30771407 ChemSpider
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