input word = C00040812

Metabolite InformationStructural formula
Name 2'-Hydroxy taxine II
(+)-2'-Hydroxy taxine II
Formula C37H49NO10
Mw 667.33564679
CAS RN 189956-94-3
C_ID C00040812 ,
InChIKey VOMHMJTXSVWBOE-KEIUCPLFNA-N
InChICode InChI=1S/C37H49NO10/c1-19-26(42)18-25-32(45-21(3)39)29-20(2)27(48-35(44)31(43)30(38(9)10)24-14-12-11-13-15-24)16-17-37(29,8)34(47-23(5)41)33(46-22(4)40)28(19)36(25,6)7/h11-15,25,27,29-34,43H,2,16-18H2,1,3-10H3/t25-,27-,29-,30-,31+,32+,33+,34-,37+/m0/s1
SMILES C=C1[C@@H](OC(=O)[C@H](O)[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
ReferenceParmar,Phytochem.,50,(1999),1267