input word = C00041177

Metabolite InformationStructural formula
Name Taxumairol F
Formula C30H42O13
Mw 610.26254143
CAS RN 186409-53-0
C_ID C00041177 ,
InChIKey IPUWXKDQBBTGBE-MXXOYOBONA-N
InChICode InChI=1S/C30H42O13/c1-13-19(36)11-30(37)26(43-18(6)35)24-28(9,20(39-14(2)31)10-21(40-15(3)32)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29+,30+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@H](C[C@@H]1OC(=O)C)OC(=O)C)CO3)[C@@H]([C@@]1(C[C@@H](C(=C(C1(C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)C)O)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
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