input word = C00054853

Metabolite InformationStructural formula
Name Diasarone 2
Formula C24H32O6
Mw 416.21988875
CAS RN 80434-33-9
C_ID C00054853
InChIKey ZPOQFZFDKXZAGL-RXSFTSLZSA-N
InChICode InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3/t13-,14-,21-/m0/s1
SMILES COC1=C2C([C@@](C3=C(OC)C=C(OC)C(OC)=C3)([H])[C@@H](C)[C@@H]2CC)=C(OC)C(OC)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
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