input word = C00022965

Metabolite InformationStructural formula
Name P 457
(3S,3'S,5R,5'R,6S,6'R,13-cis)-6',7'-Didehydro-5,6-epoxy-3-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-5,5',6,6,',7,8-hexahydro-3',5'-dihydroxy-beta,beta-caroten-20-al
Formula C52H76O15
Mw 940.51842176
CAS RN 55068-71-8
C_ID C00022965 ,
InChIKey FKIHEGJMQUTCRD-UVUXJZSNNA-N
InChICode InChI=1S/C52H76O15/c1-31(15-12-16-32(2)20-21-39-48(4,5)24-35(56)25-50(39,8)62)14-10-11-18-34(28-53)19-13-17-33(3)22-23-52-49(6,7)26-36(27-51(52,9)67-52)63-46-44(61)42(59)45(38(30-55)65-46)66-47-43(60)41(58)40(57)37(29-54)64-47/h10-20,28,35-38,40-47,54-62H,22-27,29-30H2,1-9H3/b11-10+,15-12+,19-13+,31-14+,32-16+,33-17+,34-18+/t21-,35-,36-,37-,38+,40-,41-,42-,43+,44+,45+,46+,47-,50+,51+,52-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@@](C1(C)C)(CC/C(=C/C=C/C(=C\C=C\C=C(\C=C\C=C(\C=C=C1C(C[C@@H](C[C@]1(O)C)O)(C)C)/C)/C)/C=O)/C)O2)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ProtozoaGymnodiniaceaeAmphidinium carterae Ref.
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OrganismAmphidinium carterae
ReferenceAakermann,Acta Chem. Scand. ,47,(1993),1207