input word = C00023012

Metabolite InformationStructural formula
Name Trikentriorhodin
(3S,5R)-3,8-Dihydroxy-kappa,khi-caroten-6-one
Formula C40H52O3
Mw 580.39164553
CAS RN 55906-76-8
C_ID C00023012 ,
InChIKey JCNLLLQYNIILBJ-NYPSMVNHNA-N
InChICode InChI=1S/C40H52O3/c1-28(17-13-18-30(3)21-23-35-24-22-31(4)33(6)34(35)7)15-11-12-16-29(2)19-14-20-32(5)37(42)25-38(43)40(10)27-36(41)26-39(40,8)9/h11-25,36,41-42H,26-27H2,1-10H3/b12-11+,17-13+,19-14+,23-21+,28-15+,29-16+,30-18+,32-20+,37-25-/t36-,40-/m0/s1
SMILES CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=CC=CC=C(C)C=CC=C(C)C(O)=CC(=O)[C@]1(C)C[C@@H](O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas schmidti Ref.
AnimaliaMicrocionidaeClathria frondifera Ref.
--Microciona prolifera Ref.
--Tedania digitata Ref.
--Trikentrion helium Ref.
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