input word = C00015869

Metabolite InformationStructural formula
Name Scirpusin A
Formula C28H22O7
Mw 470.13655306
CAS RN 69297-51-4
C_ID C00015869 ,
InChIKey VJVQHVVOEFJLIO-XONQPWEHNA-N
InChICode InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+/t27-,28+/m1/s1
SMILES c12c(c(cc(c1)O)/C=C/c1ccc(cc1)O)[C@H]([C@@H](O2)c1cc(c(cc1)O)O)c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeScirpus fluviatilis Ref.
PlantaeCyperaceaeScirpus maritimus Ref.
PlantaeFabaceaeCaragana tibetica KOM. Ref.
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