input word = C00049412

Metabolite InformationStructural formula
Name 13-Deacetylcanadensene
(+)-13-Deacetylcanadensene
Formula C28H40O11
Mw 552.25706212
CAS RN 222404-06-0
C_ID C00049412 ,
InChIKey KSZOOYZKDSXGIR-KBLNQMDANA-N
InChICode InChI=1S/C28H40O11/c1-13-21(34)10-20-24(37-16(4)31)9-19(12-29)22(35)11-23(36-15(3)30)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14-/t20-,21+,22-,23+,24+,27-/m1/s1
SMILES C1(=C2[C@H](/C(=C(\[C@H](C[C@H](/C(=C/[C@@H]([C@@H](C[C@@H]1O)C2(C)C)OC(=O)C)/CO)O)OC(=O)C)/C)/OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
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