input word = C00023031

Metabolite InformationStructural formula
Name 19-Hydroxymytiloxanthin
(3R,3'S,5'R)-7,8-Didehydro-3,19,3',8'-tetrahydroxy-beta,kappa-caroten-6'-one
Formula C40H54O5
Mw 614.39712483
CAS RN
C_ID C00023031 ,
InChIKey PMAXIQVXYAEDEH-NCWWOBPZNA-N
InChICode InChI=1S/C40H54O5/c1-28(16-12-18-30(3)36(44)23-37(45)40(9)26-34(43)25-39(40,7)8)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,33-34,41-44H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,36-23-/t33-,34+,40+/m1/s1
SMILES CC1=C(C#C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)CO)C(C)(C)C[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaePhakellia stelliderma Ref.
--Mytilus edulis Ref.
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OrganismMytilus edulis
ReferenceHertzberg,Acta Chem. Scand.,B42,(1988),495