input word = C00023172

Metabolite InformationStructural formula
Name 5',8'-Epoxy-3'-hydroxy-3-methoxy-4,6-didehydro-5',8'-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
Formula C41H56O4
Mw 612.41786028
CAS RN
C_ID C00023172 ,
InChIKey GAJFEAZNYLBZJM-SXASQPEENA-N
InChICode InChI=1S/C41H56O4/c1-28(18-14-19-30(3)22-23-34-38(32(5)42)36(44-11)27-39(34,6)7)16-12-13-17-29(2)20-15-21-31(4)35-24-37-40(8,9)25-33(43)26-41(37,10)45-35/h12-24,33,36-37,43H,25-27H2,1-11H3/b13-12+,18-14+,20-15+,23-22+,28-16+,29-17+,30-19+,31-21+/t33-,36+,37-,41+/m0/s1
SMILES C(=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C1=C[C@H]2C(C[C@@H](C[C@@]2(C)O1)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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