input word = C00040904

Metabolite InformationStructural formula
Name Brevitaxin
Formula C30H30O7
Mw 502.19915331
CAS RN 164416-32-4
C_ID C00040904 ,
InChIKey STCQKVIMCUPRKK-DNSTUCDPNA-N
InChICode InChI=1S/C30H30O7/c1-15(2)18-12-19-20(10-16-7-9-26(34)30(3,4)21(16)13-23(19)33)29-28(18)37-27(25(14-31)36-29)17-6-8-22(32)24(11-17)35-5/h6-13,15,25,27,31-32H,14H2,1-5H3/t25-,27-/m0/s1
SMILES COc1cc([C@@H]2Oc3c(C(C)C)cc4c(=O)cc5c(cc4c3O[C@H]2CO)C=CC(=O)C5(C)C)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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