input word = C00046391

Metabolite InformationStructural formula
Name Scorzocreticoside II
(-)-Scorzocreticoside II
Formula C28H34O14
Mw 594.1948558
CAS RN 393510-26-4
C_ID C00046391 ,
InChIKey ZJIHCERYVFDLJQ-CUQXHOLCNA-N
InChICode InChI=1S/C28H34O14/c1-11-20(30)22(32)24(34)27(39-11)38-10-18-21(31)23(33)25(35)28(42-18)41-17-9-14(29)7-13-8-16(40-26(36)19(13)17)12-3-5-15(37-2)6-4-12/h3-7,9,11,16,18,20-25,27-35H,8,10H2,1-2H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1
SMILES [C@H]1(O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](O1)Oc1cc(cc2c1C(=O)O[C@@H](C2)c1ccc(cc1)OC)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera cretica Ref.
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OrganismScorzonera cretica
ReferenceParaschos,J.Nat.Prod.,64,(2001),1585