input word = C00055357

Metabolite InformationStructural formula
Name Castacrenin C
Formula C27H18O17
Mw 614.05439915
CAS RN 173450-72-1
C_ID C00055357
InChIKey AQPVDJOZILVCEZ-UHFFFAOYSA-N
InChICode InChI=1S/C27H18O17/c28-3-7(30)16(32)18(34)8-2-4-10(26(40)42-8)11(19(35)21(37)15(4)31)12-14-13-9-5(25(39)43-24(13)22(38)20(12)36)1-6(29)17(33)23(9)44-27(14)41/h1-2,7,16,18,28-38H,3H2
SMILES O=c1oc2c(O)c(O)c(-c3c(O)c(O)c(O)c4cc(C(O)C(O)C(O)CO)oc(=O)c34)c3c(=O)oc4c(O)c(O)cc1c4c23
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)