input word = C00023171

Metabolite InformationStructural formula
Name 5',6'-Epoxy-3'-hydroxy-3-methoxy-4,6-didehydro-5',6'-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
Formula C41H56O4
Mw 612.41786028
CAS RN
C_ID C00023171 ,
InChIKey TZVLSBKJAVHHRO-BVOQJCHKNA-N
InChICode InChI=1S/C41H56O4/c1-29(18-14-20-31(3)22-23-35-37(33(5)42)36(44-11)28-38(35,6)7)16-12-13-17-30(2)19-15-21-32(4)24-25-41-39(8,9)26-34(43)27-40(41,10)45-41/h12-25,34,36,43H,26-28H2,1-11H3/b13-12+,18-14+,19-15+,23-22+,25-24+,29-16+,30-17+,31-20+,32-21+/t34-,36+,40+,41-/m0/s1
SMILES C(=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@]12C(C[C@@H](C[C@@]1(C)O2)O)(C)C)/C)/C)\C)\C)\C1=C([C@@H](CC1(C)C)OC)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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