input word = C00044347

Metabolite InformationStructural formula
Name Taxuspinanane J
Formula C40H44O12
Mw 716.28327687
CAS RN 212071-26-6
C_ID C00044347 ,
InChIKey KJTRBZPWJVVXIE-MPKZIFBUNA-N
InChICode InChI=1S/C40H44O12/c1-22-27(43)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,34(45)32(49-23(2)41)31(22)37(40,4)5)28(19-29-39(33,21-48-29)52-24(3)42)50-30(44)18-17-25-13-9-7-10-14-25/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3/b18-17+/t27-,28-,29+,32+,33-,35-,38+,39-,40+/m0/s1
SMILES CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus caspidata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus mairei Ref.
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