input word = C00003227

Metabolite InformationStructural formula
Name Calaxin
Formula C19H20O6
Mw 344.12598837
CAS RN 30412-86-3
C_ID C00003227 ,
InChIKey RYBHZNMPMHOBAR-NCNGFVBPNA-N
InChICode InChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14+,16-,19?/m0/s1
SMILES [C@]12(C(=O)C=C(O1)/C(=C/[C@H]1[C@H](C(=C)C(=O)O1)[C@@H](C2)OC(=O)C(=C)C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea axillaris Ref.
PlantaeAsteraceaeHelianthus ciliaris Ref.
PlantaeAsteraceaeViguiera eriophora ssp.eriophora Ref.
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OrganismCalea axillaris
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51