input word = C00000506

Metabolite InformationStructural formula
Name Andibenin B
Formula C25H30O6
Mw 426.20423869
CAS RN 60451-42-5
C_ID C00000506 ,
InChIKey FJRSJHTWTJSDAB-JOEABNDKNA-N
InChICode InChI=1S/C25H30O6/c1-19(2)24(7-6-16(26)31-19)9-8-23-12-20(3)10-14-17(27)30-13-25(14,23)21(4,18(20)28)11-15(23)22(24,5)29/h6-7,10,15,29H,8-9,11-13H2,1-5H3/t15-,20+,21-,22+,23-,24+,25+/m0/s1
SMILES CC1(C)OC(=O)C=CC12CC[C@@]13C[C@@]4(C)C=C5C(=O)OC[C@]51[C@@](C)(CC3[C@@]2(C)O)C4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus variecolor Ref.
zoom in