input word = C00058676

Metabolite InformationStructural formula
Name Picrasinol C
Formula C22H28O7
Mw 404.18350325
CAS RN 35598-72-2
C_ID C00058676
InChIKey CCGOHJNZZOTPQL-JQQUVHGASA-N
InChICode InChI=1S/C22H28O7/c1-10-7-13(27-5)19(25)20(3)12(10)8-14-21(4)18(20)16(24)17(28-6)11(2)22(21,26)9-15(23)29-14/h7,10,12,14,18,26H,8-9H2,1-6H3/t10-,12+,14-,18-,20+,21-,22-/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma ailanthoides Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
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