input word = C00036645

Metabolite InformationStructural formula
Name 7-Deacetyltaxuspine L
Formula C30H44O12
Mw 596.28327687
CAS RN 287474-29-7
C_ID C00036645 ,
InChIKey HQFPFWBMIXOLAN-LJZLPRPONA-N
InChICode InChI=1S/C30H44O12/c1-13-21(38-14(2)32)10-20-26(40-16(4)34)25-19(12-31)22(39-15(3)33)11-23(37)30(25,9)28(42-18(6)36)27(41-17(5)35)24(13)29(20,7)8/h19-23,25-28,31,37H,10-12H2,1-9H3/t19-,20+,21+,22+,23+,25+,26-,27-,28+,30-/m1/s1
SMILES [C@@H]1(C[C@@H]2C(C(=C1C)[C@H]([C@@H]([C@]1([C@H]([C@@H]2OC(=O)C)[C@@H]([C@H](C[C@@H]1O)OC(=O)C)CO)C)OC(=O)C)OC(=O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
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OrganismTaxus canadensis
ReferenceZhang,Phytochem.,54,(2000),221