input word = C00041173

Metabolite InformationStructural formula
Name Taxumairol A
Formula C37H48O14
Mw 716.30440624
CAS RN 172670-12-1
C_ID C00041173 ,
InChIKey QEHCTLITMBBFGI-XEFSORMUNA-N
InChICode InChI=1S/C37H48O14/c1-18-26(47-19(2)38)15-25-30(43)32-36(9,33(51-23(6)42)31(50-22(5)41)29(18)35(25,7)8)27(48-20(3)39)16-28(49-21(4)40)37(32,45)17-46-34(44)24-13-11-10-12-14-24/h10-14,25-28,30-33,43,45H,15-17H2,1-9H3/t25-,26+,27-,28-,30+,31+,32+,33-,36+,37+/m1/s1
SMILES [C@]12([C@@H]([C@@]([C@@H](C[C@H]1OC(=O)C)OC(=O)C)(COC(=O)c1ccccc1)O)[C@H]([C@H]1C[C@@H](C(=C(C1(C)C)[C@@H]([C@H]2OC(=O)C)OC(=O)C)C)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
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OrganismTaxus mairei
ReferenceParmar,Phytochem.,50,(1999),1267