input word = C00023083

Metabolite InformationStructural formula
Name C.p. 473
(2R,2'S)-3',4'-Didehydro-1',2'-dihydro-1'-hydroxy-2'-[(2E)-4-hydroxy-3-methyl-2-butenyl]-2-(3-methyl-2-butenyl)-beta,psi-carotene
Formula C50H72O2
Mw 704.55323154
CAS RN 90139-11-0
C_ID C00023083 ,
InChIKey YMLLDNCZCPDJIV-IRORYLENNA-N
InChICode InChI=1S/C50H72O2/c1-38(2)27-32-46-35-31-45(9)48(49(46,10)11)36-30-43(7)26-17-22-40(4)20-15-14-19-39(3)21-16-23-41(5)24-18-25-42(6)28-33-47(50(12,13)52)34-29-44(8)37-51/h14-30,33,36,46-47,51-52H,31-32,34-35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,33-28+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29-/t46-,47+/m0/s1
SMILES C1(=C(CC[C@@H](C1(C)C)CC=C(C)C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/[C@@H](C(C)(O)C)C/C=C(/C)\CO)\C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicrobacteriaceaeCurtobacterium flaccumfaciens pv. poinsettiae Ref.
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OrganismCurtobacterium flaccumfaciens pv. poinsettiae
ReferenceNorgard,Acta Chem. Scand.,24,(1970),2183