input word = C00013776

Metabolite InformationStructural formula
Name Stenopalustroside A
Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside)
3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C39H32O15
Mw 740.17412036
CAS RN 218614-71-2
C_ID C00013776 ,
InChIKey NFSCOXCDAAETPI-SEBGMJCZNA-N
InChICode InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5-,16-6-/t29-,33-,35-,37+,39+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C\c1ccc(cc1)O)O)OC(=O)/C=C\c1ccc(cc1)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBlechnaceaeStenochlaena palustris Ref.
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OrganismStenochlaena palustris
ReferenceLiu,J.Nat.Prod.,62,(1999),70