input word = C00019999

Metabolite InformationStructural formula
Name Peucedanocoumarin III
Formula C21H22O7
Mw 386.13655306
CAS RN 130464-57-2
C_ID C00019999 ,
InChIKey LYUZYPKZQDYMEE-QOMVQQSBNA-N
InChICode InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1
SMILES c1(=O)ccc2c(o1)c1c(cc2)OC([C@H]([C@@H]1OC(=O)/C(=C/C)/C)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePeucedanum praeruptorum Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
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