CHEBI:80215 - 3-Hydroxyechinenone

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ChEBI Name 3-Hydroxyechinenone
ChEBI ID CHEBI:80215
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H54O2
Net Charge 0
Average Mass 566.85560
Monoisotopic Mass 566.412
InChI InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m0/s1
InChIKey DFNMSBYEEKBETA-JZLJSYQFSA-N
SMILES CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C
ChEBI Ontology
Outgoing 3-Hydroxyechinenone (CHEBI:80215) is a xanthophyll (CHEBI:27325)
Manual Xref Database
C15966 KEGG COMPOUND
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