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 C1(=C[C@@H]2[C@]([C@@H]([C@H]([C@H]1O)OC(=O)C)OC(=O)CCC)(C[C@@H]([C@]1([C@H]2[C@H]([C@H]([C@@H]1OC(=O)CCC)OC(=O)[C@@H](CC)C)C(C)C)C)OC(=O)CCC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas gukulensis Ref.
--Phorbas sp. Ref.
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