input word = C00033732

Metabolite InformationStructural formula
Name Crepiside B
Formula C29H34O10
Mw 542.21519731
CAS RN 100202-26-4
C_ID C00033732 ,
InChIKey RNLKYSGHJFNGIH-XOBGASJPNA-N
InChICode InChI=1S/C29H34O10/c1-13-4-9-18-14(2)28(35)39-26(18)23-15(3)20(11-19(13)23)36-29-25(34)27(24(33)21(12-30)37-29)38-22(32)10-16-5-7-17(31)8-6-16/h5-8,18-21,23-27,29-31,33-34H,1-4,9-12H2/t18-,19-,20-,21+,23-,24+,25+,26-,27-,29-/m0/s1
SMILES C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepis japonica Ref.
PlantaeAsteraceaePicris hieracioides L.var.japonica Regel Ref.
PlantaeAsteraceaeYoungia japonica (L.) DC. Ref.
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