input word = C00022951

Metabolite InformationStructural formula
Name Latochrome
(3S,3'S,5R,5'R,6R)-5',8'-Epoxy-5,5',6,8'-tetrahydro-3,3',5,6-tetrahydroxy-beta,beta-carotene
Formula C40H58O5
Mw 618.42842496
CAS RN 95119-71-4
C_ID C00022951 ,
InChIKey WWUKNXCHIOGECP-MVOMOGQLNA-N
InChICode InChI=1S/C40H58O5/c1-28(17-13-18-30(3)21-22-40(44)37(7,8)25-33(42)27-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)45-34/h11-23,32-34,41-44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,38+,39+,40+/m0/s1
SMILES C1[C@@H](C[C@]([C@](C1(C)C)(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/[C@H]1C=C2C(C[C@@H](C[C@]2(O1)C)O)(C)C)\C)\C)/C)/C)O)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa foetida Ref.
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OrganismRosa foetida
ReferenceMarki-Fischer,Helv. Chim. Acta,67,(1984),2143