input word = C00046452

Metabolite InformationStructural formula
Name Taxumairol U
(-)-Taxumairol U
Formula C30H44O13
Mw 612.27819149
CAS RN 354991-33-6
C_ID C00046452 ,
InChIKey SHGLCPCJPHZRMS-URUOICTDNA-N
InChICode InChI=1S/C30H44O13/c1-13-21(41-16(4)33)11-30(28(7,8)38)23(13)25(36)27(43-18(6)35)29(9)22(42-17(5)34)10-20(40-15(3)32)19(12-39-14(2)31)24(29)26(30)37/h19-22,24-27,36-38H,10-12H2,1-9H3/t19-,20+,21+,22+,24+,25-,26+,27+,29-,30+/m1/s1
SMILES C1[C@@H]([C@H]([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]([C@@H](C1=C([C@H](C[C@]1([C@H]2O)C(C)(O)C)OC(=O)C)C)O)OC(=O)C)C)COC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
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OrganismTaxus sumatrana
ReferenceShen, et al., JNP, 64, (2001), 950.

Shen, et al., JNP, 65, (2002), 1848