input word = C00030334

Metabolite InformationStructural formula
Name Gagunin A
Formula C39H62O11
Mw 706.42921282
CAS RN 495413-88-2
C_ID C00030334 ,
InChIKey LRABKEIVBGXCTG-CCHQYAJENA-N
InChICode InChI=1S/C39H62O11/c1-12-16-27(41)47-26-20-38(10)25(19-23(8)32(44)34(46-24(9)40)35(38)48-28(42)17-13-2)31-30(21(5)6)33(50-37(45)22(7)15-4)36(39(26,31)11)49-29(43)18-14-3/h19,21-22,25-26,30-36,44H,12-18,20H2,1-11H3/t22-,25+,26+,30-,31-,32+,33-,34+,35-,36+,38-,39+/m1/s1
SMILES CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)C(C)=C[C@@H]2[C@H]3[C@@H](C(C)C)[C@@H](OC(=O)C(C)CC)[C@H](OC(=O)CCC)[C@@]3(C)[C@@H](OC(=O)CCC)C[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas gukulensis Ref.
--Phorbas sp. Ref.
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OrganismPhorbas gukulensis
ReferenceLee,Chem.Pharm.Bull.,56,(2008),1198