input word = C00020992

Metabolite InformationStructural formula
Name Clementein B
Formula C21H26O7
Mw 390.16785319
CAS RN 106621-84-5
C_ID C00020992 ,
InChIKey CQVHQHOSDRVRSI-OPTQWEBHNA-N
InChICode InChI=1S/C21H26O7/c1-9-5-15(26-19(24)10(2)8-22)17-18(16-12(4)14(23)6-13(9)16)27-20(25)21(17)7-11(3)28-21/h11,13-18,22-23H,1-2,4-8H2,3H3/t11-,13+,14+,15+,16+,17-,18+,21+/m1/s1
SMILES [C@@H]12[C@@H]([C@H]3[C@@H]([C@H](CC1=C)OC(=O)C(=C)CO)[C@@]1(C(=O)O3)O[C@@H](C1)C)C(=C)[C@H](C2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea clementei Ref.
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