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 c1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/O)\C)\C)/C)/C)c(c(c(cc1)C)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.
zoom in



OrganismTedania digitata
ReferenceTanaka,Bull. Jap. Soc. Sci. Fish.,43,(1977),767