input word = C00055355

Metabolite InformationStructural formula
Name Castacrenin A
Formula C27H18O17
Mw 614.05439915
CAS RN 173429-79-3
C_ID C00055355
InChIKey ORHDVCFHUVVLAU-UHFFFAOYSA-N
InChICode InChI=1S/C27H18O17/c28-2-5(30)20-19(37)24-23(41-20)12-11(27(40)44-24)8(14(32)17(35)16(12)34)7-10-9-6-3(25(38)42-22(9)18(36)15(7)33)1-4(29)13(31)21(6)43-26(10)39/h1,5,19-20,23-24,28-37H,2H2
SMILES O=C1OC2C(OC(C(O)CO)C2O)c2c(O)c(O)c(O)c(-c3c(O)c(O)c4oc(=O)c5cc(O)c(O)c6oc(=O)c3c4c65)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea crenata Ref.
PlantaeFagaceaeCastanea sativa Ref.
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OrganismCastanea crenata
ReferenceTanaka, T. et al., Chem. Pharm. Bull., 1996, 44, 2236-2242 (isol, pmr, cmr)