input word = C00039225

Metabolite InformationStructural formula
Name Frajunolide I
(-)-Frajunolide I
Formula C28H35ClO12
Mw 598.18170429
CAS RN 1058643-48-3
C_ID C00039225 ,
InChIKey YMCOBUVXHZEMRB-MJANLPCCNA-N
InChICode InChI=1S/C28H35ClO12/c1-12-8-9-19(38-15(4)31)26(7)21(27(11-36-27)10-18(37-14(3)30)22(26)39-16(5)32)24(40-17(6)33)28(35)13(2)25(34)41-23(28)20(12)29/h8-9,13,18-24,35H,1,10-11H2,2-7H3/b9-8+/t13-,18-,19-,20-,21+,22-,23-,24-,26+,27-,28+/m0/s1
SMILES C=C1/C=C/[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C(OC(C)=O)C[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)C2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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