input word = C00042832

Metabolite InformationStructural formula
Name Patentiflorin A
(-)-Patentiflorin A
Formula C27H26O11
Mw 526.14751167
CAS RN 857050-63-6
C_ID C00042832 ,
InChIKey NLWUWPJUIJTHAN-HFEVMXLONA-N
InChICode InChI=1S/C27H26O11/c1-11-22(28)23(29)24(30)27(37-11)38-25-14-8-18(33-3)17(32-2)7-13(14)20(21-15(25)9-34-26(21)31)12-4-5-16-19(6-12)36-10-35-16/h4-8,11,22-24,27-30H,9-10H2,1-3H3/t11-,22+,23+,24-,27+/m1/s1
SMILES O([C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C)c1c2c(c(c3c1cc(c(c3)OC)OC)c1cc3c(cc1)OCO3)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia patentiflora Ref.
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OrganismJusticia patentiflora
ReferenceSusplugas,J.Nat.Prod.,68,(2005),734