input word = C00023110

Metabolite InformationStructural formula
Name Paracentrone
(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6,7',8'-tetrahydro-7'-apo-beta-caroten
Formula C31H42O3
Mw 462.31339521
CAS RN 31190-20-2
C_ID C00023110 ,
InChIKey DBFXUHLRCRLMIU-IEZUZTJXNA-N
InChICode InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20-,28-,31+/m0/s1
SMILES C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)C)\C)\C)/C)/C)=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaStrongylocentrotidaeStrongylocentrotus lividus Ref.
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OrganismStrongylocentrotus lividus
ReferenceGalasko,J. Chem. Soc. C,(1969),1264