input word = C00013655

Metabolite InformationStructural formula
Name Skullcapflavone I 2'-(4''-E-Cinnamoylglucoside)
5-Hydroxy-7,8-dimethoxy-2-[2-[[4-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one
Formula C32H30O12
Mw 606.17372642
CAS RN 393825-51-9
C_ID C00013655 ,
InChIKey CJSBAQYZHSTGQK-HTTSJWTINA-N
InChICode InChI=1S/C32H30O12/c1-39-23-15-20(35)26-19(34)14-22(41-31(26)30(23)40-2)18-10-6-7-11-21(18)42-32-28(38)27(37)29(24(16-33)43-32)44-25(36)13-12-17-8-4-3-5-9-17/h3-15,24,27-29,32-33,35,37-38H,16H2,1-2H3/b13-12+/t24-,27+,28+,29+,32+/m0/s1
SMILES c1(cc(c2c(c1OC)oc(cc2=O)c1c(cccc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)OC(=O)/C=C/c1ccccc1)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis elongata Ref.
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