input word = C00002585

Metabolite InformationStructural formula
Name Wedelolactone
1,8,9-Trihydroxy-3-methoxycoumestan
5,11,12-Trihydroxy-7-methoxycoumestan
Formula C16H10O7
Mw 314.04265268
CAS RN 524-12-9
C_ID C00002585 ,
InChIKey XQDCKJKKMFWXGB-UHFFFAOYSA-N
InChICode InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
SMILES c1(cc(c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEclipta alba Ref.
PlantaeAsteraceaeWedelia calendulacea Ref.
PlantaeCupressaceaeThuja orientalis Ref.
PlantaeFabaceaeOugeinia dalbergioides Ref.
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OrganismWedelia calendulacea
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter38