input word = C00040892

Metabolite InformationStructural formula
Name Baccatin V
Formula C31H38O11
Mw 586.24141206
CAS RN 31077-81-3
C_ID C00040892 ,
InChIKey OVMSOCFBDVBLFW-SUCFIWPZNA-N
InChICode InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@@]1(C[C@@H](C(=C([C@H](C2=O)OC(=O)C)C1(C)C)C)O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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