input word = C00000594

Metabolite InformationStructural formula
Name Isoasatone
Formula C24H32O8
Mw 448.209718
CAS RN 52665-70-0
C_ID C00000594 ,
InChIKey AVSHBJLOBUPWRR-DEXLCJNINA-N
InChICode InChI=1S/C24H32O8/c1-9-11-19-13-14-20(12-10-2)16(24(31-7,32-8)17(25)21(14,19)27-3)15(19)23(29-5,30-6)18(26)22(13,20)28-4/h9-10,13-16H,1-2,11-12H2,3-8H3/t13-,14-,15+,16+,19+,20+,21+,22+/m1/s1
SMILES C=CCC12C3C4C(OC)(OC)C(=O)C1(OC)C1C2[C@@](OC)(C(=O)C3(OC)OC)[C@]41CC=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAsarum taitonense Ref.
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OrganismAsarum taitonense
ReferenceGottlieb,Natural Products og Woody Plants-Chemicals Extraneous to the Lignocellulosic Cell Wall.Springer-Verlag Berlin,(1989),p439