input word = C00020531

Metabolite InformationStructural formula
Name Crepidiaside E
Formula C29H34O11
Mw 558.21011193
CAS RN 101921-33-9
C_ID C00020531 ,
InChIKey RTXSNWYVOKAJIF-UIJPYONFNA-N
InChICode InChI=1S/C29H34O11/c1-13-9-19(32)22-14(2)28(36)40-26(22)23-16(5-8-18(13)23)12-37-29-27(25(35)24(34)20(11-30)38-29)39-21(33)10-15-3-6-17(31)7-4-15/h3-7,19-20,22-27,29-32,34-35H,2,8-12H2,1H3/t19-,20-,22+,23-,24+,25-,26+,27-,29+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4OC(=O)Cc4ccc(O)cc4)=CCC3=C(C)C[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium pumilum Ref.
PlantaeAsteraceaeCrepidiastrum keiskeanum Ref.
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