input word = C00006598

Metabolite InformationStructural formula
Name Pentagrametin
Formula C33H24O12
Mw 612.12677623
CAS RN 152246-59-8
C_ID C00006598 ,
InChIKey UNTGWZYMPURTGA-UHFFFAOYSA-N
InChICode InChI=1S/C33H24O12/c1-42-16-7-3-14(4-8-16)30-28(40)26(38)24-22(36)12-20(34)18(32(24)44-30)11-19-21(35)13-23(37)25-27(39)29(41)31(45-33(19)25)15-5-9-17(43-2)10-6-15/h3-10,12-13,34-37,40-41H,11H2,1-2H3
SMILES COc1ccc(-c2oc3c(Cc4c(O)cc(O)c5c(=O)c(O)c(-c6ccc(OC)cc6)oc45)c(O)cc(O)c3c(=O)c2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaePentagramma triangularis Ref.
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