input word = C00030335

Metabolite InformationStructural formula
Name Gagunin B
Formula C38H60O11
Mw 692.41356276
CAS RN 495413-89-3
C_ID C00030335 ,
InChIKey QLUDWBOGDUAVPY-NDHJPAEUNA-N
InChICode InChI=1S/C38H60O11/c1-12-15-26(40)46-25-19-37(10)24(18-22(8)31(43)33(45-23(9)39)34(37)47-27(41)16-13-2)30-29(20(4)5)32(49-36(44)21(6)7)35(38(25,30)11)48-28(42)17-14-3/h18,20-21,24-25,29-35,43H,12-17,19H2,1-11H3/t24-,25-,29+,30+,31-,32+,33-,34+,35-,37+,38-/m0/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)C)[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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