input word = C00020533

Metabolite InformationStructural formula
Name Crepidiaside D
Formula C29H36O11
Mw 560.22576199
CAS RN 101921-34-0
C_ID C00020533 ,
InChIKey YFKNCWOCBRAOMI-MJAFOCLVNA-N
InChICode InChI=1S/C29H36O11/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/h3-7,14,19-20,22-27,29-32,34-35H,8-12H2,1-2H3/t14-,19-,20+,22+,23-,24+,25-,26-,27+,29+/m0/s1
SMILES CC1=C2CC=C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)Cc3ccc(O)cc3)[C@@H]2[C@H]2OC(=O)C(C)[C@@H]2[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium pumilum Ref.
PlantaeAsteraceaeCrepidiastrum keiskeanum Ref.
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