input word = C00033730

Metabolite InformationStructural formula
Name Crepidialanceoside A
(-)-Crepidialanceoside A
Formula C29H34O11
Mw 558.21011193
CAS RN 481636-34-4
C_ID C00033730 ,
InChIKey IUMVSFAJKAOULC-DBWQZNSQNA-N
InChICode InChI=1S/C29H34O11/c1-13-9-19(31)22-14(2)28(36)40-27(22)23-16(5-8-18(13)23)11-38-29-26(35)25(34)24(33)20(39-29)12-37-21(32)10-15-3-6-17(30)7-4-15/h3-7,19-20,22-27,29-31,33-35H,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]4O[C@H](COC(=O)Cc5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)=CCC3=C(C)C[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepidiastrum lanceolatum NAKAI Ref.
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OrganismCrepidiastrum lanceolatum NAKAI
ReferenceZidorn,Phytochem.,69,(2008),2270