input word = C00020328

Metabolite InformationStructural formula
Name Astellolide B
Formula C26H30O9
Mw 486.18898256
CAS RN 78834-89-6
C_ID C00020328 ,
InChIKey GRCAUCWQLNJYKG-OSTKPHNSNA-N
InChICode InChI=1S/C26H30O9/c1-15(27)33-13-25(3)9-4-10-26(14-34-16(2)28)20-12-32-24(31)19(20)11-21(22(25)26)35-23(30)17-5-7-18(29)8-6-17/h5-8,21-22,29H,4,9-14H2,1-3H3/t21-,22+,25-,26+/m1/s1
SMILES C1C[C@@]([C@H]2[C@](C1)(C1=C(C[C@H]2OC(=O)c2ccc(cc2)O)C(=O)OC1)COC(=O)C)(COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus variecolor Ref.
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OrganismAspergillus variecolor
ReferenceGould,Tetrahedron Lett.,22,(1981),1047