input word = C00021448

Metabolite InformationStructural formula
Name Ptaquiloside
Braxin C
Formula C20H30O8
Mw 398.19406794
CAS RN 87625-62-5
C_ID C00021448 ,
InChIKey GPHSJPVUEZFIDE-OBJSXLPANA-N
InChICode InChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16-,17+,18+,20+/m1/s1
SMILES C1(=C[C@@]2([C@@H]([C@](C31CC3)(C)O)C(=O)[C@@H](C2)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCbotiaceae/DicksoniaceaeCibotium borometz Ref.
PlantaeDennstaedtiaceaeDennstaedtia scabra Ref.
PlantaeDennstaedtiaceaeHistiopteris incisa Ref.
PlantaeDennstaedtiaceaeHypolepis punctata Ref.
PlantaeDennstaedtiaceaeMicrolepia strigosa Ref.
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
PlantaeMonachosoraceaeMonachosorum flagellare Ref.
PlantaePteridaceaePteris cretica Ref.
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OrganismHistiopteris incisa
ReferenceSaito,Phytochem.,29,(1990),1475