input word = C00006794

Metabolite InformationStructural formula
Name Ophrysanin
Formula C23H21O14
Mw 521.09313038
CAS RN 104937-44-2
C_ID C00006794 ,
InChIKey ADNURPZCKUPWPT-YYSCHUJTNA-O
InChICode InChI=1S/C23H20O14/c24-9-4-12(26)10-6-15(20(35-14(10)5-9)8-1-2-11(25)13(27)3-8)36-23-19(30)18(29)17(28)16(37-23)7-34-22(33)21(31)32/h1-6,16-19,23,28-30H,7H2,(H4-,24,25,26,27,31,32)/p+1/t16-,17-,18-,19+,23-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)C(=O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeAnacamptis pyramidalis Ref.
PlantaeOrchidaceaeBarlia spp. Ref.
PlantaeOrchidaceaeCephalanthera spp. Ref.
PlantaeOrchidaceaeEpipactis atrorubens Ref.
PlantaeOrchidaceaeHimantoglossum adriaticum Ref.
PlantaeOrchidaceaeLimodorum abortivum Ref.
PlantaeOrchidaceaeNeottianthe cucullata Ref.
PlantaeOrchidaceaeNigritella spp. Ref.
PlantaeOrchidaceaeOphrys spp. Ref.
PlantaeOrchidaceaeOrchis spp. Ref.
PlantaeOrchidaceaeSerapias spp. Ref.
PlantaeOrchidaceaeTraunsteinera globosa Ref.
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OrganismNeottianthe cucullata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Strack,Z.Naturforsch.,C.,41,(1986),707

Strack,28,(1989),2127