input word = C00031170

Metabolite InformationStructural formula
Name Rhyncoside E
Formula C52H62O20
Mw 1006.38344442
CAS RN 1023336-07-3
C_ID C00031170 ,
InChIKey PUWNQAVRSGMQQI-XURVRVDWNA-N
InChICode InChI=1S/C52H62O20/c1-61-36-14-26(8-11-33(36)56)46(58)43(21-53)70-35-13-10-28(16-38(35)63-3)48(60)45(23-55)72-52-41(66-6)19-30(20-42(52)67-7)50-32-25-68-49(31(32)24-69-50)29-17-39(64-4)51(40(18-29)65-5)71-44(22-54)47(59)27-9-12-34(57)37(15-27)62-2/h8-20,31-32,43-50,53-60H,21-25H2,1-7H3/t31-,32-,43+,44-,45-,46-,47+,48+,49+,50+/m1/s1
SMILES O1C[C@@H]2[C@H]([C@@H]1c1cc(c(c(c1)OC)O[C@@H]([C@H](c1cc(c(cc1)O)OC)O)CO)OC)CO[C@H]2c1cc(c(c(c1)OC)O[C@@H]([C@H](c1ccc(c(c1)OC)O[C@H]([C@@H](c1cc(c(cc1)O)OC)O)CO)O)CO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeBruguiera sexangula var.rhynchopetala Ref.
zoom in



OrganismBruguiera sexangula var.rhynchopetala
ReferenceBao,CHem.Pharm.Bull.,55,(2007),1175