input word = C00023085

Metabolite InformationStructural formula
Name C.p. 460
(2R,2'R)-1',2'-Dihydro-1'-hydroxy-2-[(2E)-4-hydroxy-3-methyl-2-butenyl]-2'-(3-methyl-2-butenyl)-beta,psi-carotene
Formula C50H74O2
Mw 706.56888161
CAS RN 267008-23-1
C_ID C00023085 ,
InChIKey UOGZNTWAFCMEMT-YYIMHMNUNA-N
InChICode InChI=1S/C50H74O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-27,29-30,36,46-47,51-52H,28,31-35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1
SMILES CC(C)=CC[C@@H](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/C1=C(C)CC[C@H](C/C=C(C)CO)C1(C)C)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaCorynebacteriaceaeCorynebacterium poinsettiae Ref.
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