input word = C00055356

Metabolite InformationStructural formula
Name Castacrenin B
Formula C27H18O17
Mw 614.05439915
CAS RN 173429-80-6
C_ID C00055356
InChIKey JTTVTHBGPVZKHW-UHFFFAOYSA-N
InChICode InChI=1S/C27H18O17/c28-2-5-14(31)19(36)24-23(41-5)12-11(27(40)44-24)8(15(32)18(35)17(12)34)7-10-9-6-3(25(38)42-22(9)20(37)16(7)33)1-4(29)13(30)21(6)43-26(10)39/h1,5,14,19,23-24,28-37H,2H2
SMILES O=C1OC2C(OC(CO)C(O)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.
PlantaeNymphaeaceaeNymphaea alba Ref.
zoom in