input word = C00020448

Metabolite InformationStructural formula
Name Crepiside F
Formula C29H34O11
Mw 558.21011193
CAS RN 100187-61-9
C_ID C00020448 ,
InChIKey LQIMVHNPYMFGPH-IYGJSUOTNA-N
InChICode InChI=1S/C29H34O11/c1-12-8-19(37-21(32)9-15-4-6-16(31)7-5-15)23-14(3)28(36)40-27(23)22-13(2)18(10-17(12)22)38-29-26(35)25(34)24(33)20(11-30)39-29/h4-7,17,19-20,22-27,29-31,33-35H,1,3,8-11H2,2H3/t17-,19-,20+,22-,23+,24+,25-,26+,27-,29+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C[C@H]3C(=C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepis japonica Ref.
PlantaeAsteraceaeYoungia japonica Ref.
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