input word = C00035972

Metabolite InformationStructural formula
Name 7-Deacetylcanadensene
Formula C28H40O11
Mw 552.25706212
CAS RN 222404-07-1
C_ID C00035972 ,
InChIKey NHCLXSSUPOPGTR-QOZCOMTENA-N
InChICode InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13-/t20-,21+,22-,23+,24+,27-/m1/s1
SMILES CC(=O)O/C1=C(/C)[C@@H](O)C[C@@H](O)/C(CO)=C/[C@H](OC(C)=O)C2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
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