input word = C00040854

Metabolite InformationStructural formula
Name 9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol
(+)-9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol
Formula C29H38O8
Mw 514.25666819
CAS RN 158327-01-6
C_ID C00040854 ,
InChIKey ZCAYJUCLBFCHJT-QLWGVQAWNA-N
InChICode InChI=1S/C29H38O8/c1-15-19-13-29(27(4,5)35)14-21(32)16(2)23(29)24(33)25(37-26(34)18-10-8-7-9-11-18)28(19,6)22(12-20(15)31)36-17(3)30/h7-11,19-22,24-25,31-33,35H,1,12-14H2,2-6H3/t19-,20-,21-,22-,24+,25-,28-,29-/m0/s1
SMILES C1[C@@H]2[C@]([C@H]([C@@H](C3=C([C@H](C[C@@]13C(O)(C)C)O)C)O)OC(=O)c1ccccc1)([C@H](C[C@@H](C2=C)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus brevifolia Ref.
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