input word = C00024180

Metabolite InformationStructural formula
Name Heteroclitin E
Formula C27H30O9
Mw 498.18898256
CAS RN 140369-77-3
C_ID C00024180 ,
InChIKey XUIUDMCZUMRZDC-GAUBVPFQNA-N
InChICode InChI=1S/C27H30O9/c1-7-12(2)26(30)36-21-14(4)13(3)20(28)16-9-17(31-5)23(32-6)25(29)27(16)10-33-24-19(27)15(21)8-18-22(24)35-11-34-18/h7-9,13-14,20-21,28H,10-11H2,1-6H3/b12-7+/t13-,14+,20+,21-,27-/m0/s1
SMILES C/C=C(C)C(=O)O[C@@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C(O)[C@@H](C)[C@H]1C)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura heteroclita (ROXB.) CRAIB. Ref.
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