input word = C00020516

Metabolite InformationStructural formula
Name Crepiside I
Formula C29H34O11
Mw 558.21011193
CAS RN 100187-59-5
C_ID C00020516 ,
InChIKey HBASBIUAPMYXFM-XRCLKFSTNA-N
InChICode InChI=1S/C29H34O11/c1-12-8-18(31)23-14(3)28(36)40-27(23)22-13(2)19(10-17(12)22)38-29-26(35)25(34)24(33)20(39-29)11-37-21(32)9-15-4-6-16(30)7-5-15/h4-7,17-20,22-27,29-31,33-35H,1-3,8-11H2/t17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,29+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4OC(COC(=O)Cc5ccc(O)cc5)[C@@H](O)[C@H](O)C4O)C[C@H]3C(=C)C[C@@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepis japonica Ref.
PlantaeAsteraceaeYoungia japonica (L.) DC. Ref.
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