input word = C00020809

Metabolite InformationStructural formula
Name Crepidiaside A
Formula C21H26O9
Mw 422.15768243
CAS RN 101921-36-2
C_ID C00020809 ,
InChIKey GHSRDMYBBWWNGL-LRIMWPRONA-N
InChICode InChI=1S/C21H26O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,11,13,15-19,21-22,24-26H,2-4,6-7H2,1H3/t11-,13+,15-,16+,17-,18+,19-,21+/m0/s1
SMILES C12=C(CC[C@@H]3[C@@H]([C@H]1C(=CC2=O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)C3=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium pumilum Ref.
PlantaeAsteraceaeCrepidiastrum keiskeanum Ref.
PlantaeAsteraceaeCrepis multicaulis Ledeb. Ref.
PlantaeAsteraceaeIxeris sonchifolia Hance Ref.
PlantaeAsteraceaeLactuca sativa Ref.
PlantaeAsteraceaeLaunaea arborescens Ref.
PlantaeAsteraceaeLaunaea spinosa Sch. Bip. Ref.
PlantaeAsteraceaeLeontodon autumnalis Ref.
PlantaeAsteraceaeLeontodon croceus Ref.
PlantaeAsteraceaeLeontodon duboisii Ref.
PlantaeAsteraceaeLeontodon helveticus Ref.
PlantaeAsteraceaeLeontodon montaniformis Ref.
PlantaeAsteraceaeLeontodon montanus subsp. melanotrichus Ref.
PlantaeAsteraceaeLeontodon pyrenaicus Ref.
PlantaeAsteraceaeNotoseris gracilipes C. Shih Ref.
PlantaeAsteraceaeNotoseris henryi (Dunn) C. Shih Ref.
PlantaeAsteraceaeNotoseris psilolepis C. Shih Ref.
PlantaeAsteraceaeNotoseris triflora (Hemsl.) C .Shih Ref.
PlantaeAsteraceaePicris hieracioides L.Var.Japonica Regel. Ref.
PlantaeAsteraceaeScorzoneroides crocea (Haenke) Holub Ref.
PlantaeAsteraceaeScorzoneroides duboisii (Greuter) Sennen Ref.
PlantaeAsteraceaeScorzoneroides helvetica (Merat) Holub Ref.
PlantaeAsteraceaeScorzoneroides montana (Lam.) Holub Ref.
PlantaeAsteraceaeScorzoneroides montaniformis (Widder) Gutermann Ref.
PlantaeAsteraceaeScorzoneroides pyrenaica (Gouan) Holub Ref.
PlantaeAsteraceaeScorzoneroides rilaensis (Hayek) Holub Ref.
PlantaeAsteraceaeSonchus oleraceus L. Ref.
PlantaeAsteraceaeYoungia denticulata (Houtt.) Kitam. Ref.
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