input word = C00023082

Metabolite InformationStructural formula
Name C.p. 450 glucoside
(2R,2'R)-2-[(2E)-4-(beta-D-Glucopyranosyloxy)-3-methyl-2-butenyl]-2'-[(2E)-4-hydroxy-3-methyl-2-butenyl]-beta,beta-carotene
Formula C56H82O7
Mw 866.60605497
CAS RN 267008-21-9
C_ID C00023082 ,
InChIKey UCVXTUCEDYVMOY-BZZUZBKNNA-N
InChICode InChI=1S/C56H82O7/c1-38(19-15-21-40(3)25-33-48-44(7)27-31-46(55(48,9)10)29-23-42(5)35-57)17-13-14-18-39(2)20-16-22-41(4)26-34-49-45(8)28-32-47(56(49,11)12)30-24-43(6)37-62-54-53(61)52(60)51(59)50(36-58)63-54/h13-26,33-34,46-47,50-54,57-61H,27-32,35-37H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,38-17+,39-18+,40-21+,41-22+,42-23+,43-24+/t46-,47-,50-,51+,52-,53-,54+/m0/s1
SMILES C1(=C(CC[C@@H](C1(C)C)C/C=C(/CO[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)\C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CC[C@@H](C1(C)C)C/C=C(/CO)\C)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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