input word = C00019802

Metabolite InformationStructural formula
Name Bisparasin
Formula C30H28O6
Mw 484.18858863
CAS RN 153178-05-3
C_ID C00019802 ,
InChIKey PDEFOFDPLZJLEW-LFCVMNOFNA-N
InChICode InChI=1S/C30H28O6/c1-18-11-13-30(2,14-12-21-24(33-3)8-5-19-6-9-28(32)36-29(19)21)23(15-18)22-16-20-7-10-27(31)35-25(20)17-26(22)34-4/h5-10,12,14-17,23H,11,13H2,1-4H3/b14-12+/t23-,30-/m1/s1
SMILES c1c(c(cc2c1oc(=O)cc2)[C@H]1C=C(CC[C@@]1(/C=C/c1c2c(ccc1OC)ccc(=O)o2)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
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