input word = C00019881

Metabolite InformationStructural formula
Name cis-Grandmarin
Formula C15H16O6
Mw 292.09468824
CAS RN 119139-64-9
C_ID C00019881 ,
InChIKey RRUHFAXVNXSPNG-QSKWDSTQNA-N
InChICode InChI=1S/C15H16O6/c1-15(2)14(18)12(17)11-9(21-15)6-8(19-3)7-4-5-10(16)20-13(7)11/h4-6,12,14,17-18H,1-3H3/t12-,14-/m0/s1
SMILES c1(=O)ccc2c(o1)c1c(cc2OC)OC([C@H]([C@H]1O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
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