input word = C00014581

Metabolite InformationStructural formula
Name Blepharocalyxin E
Formula C54H54O11
Mw 878.36661257
CAS RN 294855-53-1
C_ID C00014581 ,
InChIKey TYLXZXNUOTYKOH-DMMNKTTRNA-N
InChICode InChI=1S/C54H54O11/c1-64-49-32-48(62)51(53(63)52(49)47(61)29-13-36-9-23-42(58)24-10-36)46-31-45(28-12-35-7-21-41(57)22-8-35)65-54(37-15-26-43(59)27-16-37)50(46)38(14-2-33-3-17-39(55)18-4-33)30-44(60)25-11-34-5-19-40(56)20-6-34/h2-10,13-24,26-27,29,32,38,44-46,50,54-60,62-63H,11-12,25,28,30-31H2,1H3/b14-2+,29-13+/t38-,44-,45-,46+,50-,54+/m0/s1
SMILES c1(ccc(cc1)/C=C/C(=O)c1c(c(c(cc1OC)O)[C@@H]1C[C@@H](O[C@@H]([C@H]1[C@H](C[C@H](CCc1ccc(cc1)O)O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)CCc1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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