input word = C00023094

Metabolite InformationStructural formula
Name A.g.571
(2R,6R,2'S)-2-(4-Hydroxy-3-methyl-2-butenyl),2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-epsilon,psi-carotene-1'-ol
Formula C50H72O2
Mw 704.55323154
CAS RN 52262-66-5
C_ID C00023094 ,
InChIKey RCXMORFHIARFMO-DLXIHISQNA-N
InChICode InChI=1S/C50H72O2/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/h14-31,34,36,46-48,51-52H,32-33,35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-,48+/m0/s1
SMILES [C@H]1(/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)CC=C(C)C)\C)\C)\C)/C)/C)C([C@H](CC=C1C)C/C=C(/CO)\C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicrococcaceaeArthrobacter glacialis Ref.
zoom in