input word = C00002470

Metabolite InformationStructural formula
Name (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3'4'-dihydroseselin
Formula C21H22O8
Mw 402.13146768
CAS RN 11350-35-9
C_ID C00002470 ,
InChIKey JATBXVRRSYYPIL-XPKXBMLTNA-N
InChICode InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10-,17-,18-,21-/m1/s1
SMILES c1c2c(c3c(c1)ccc(=O)o3)[C@@H](OC(=O)C)[C@@H](OC(=O)[C@]1([C@@H](C)O1)C)C(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica shikokiana Ref.
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OrganismAngelica shikokiana
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter35