input word = C00039850

Metabolite InformationStructural formula
Name Nigrospoxydon B
(+)-Nigrospoxydon B
Formula C23H30O9
Mw 450.18898256
CAS RN 1040744-01-1
C_ID C00039850 ,
InChIKey WKPWSSVSBBBVAQ-QIOCUGHLNA-N
InChICode InChI=1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17+,18-,20+,21+/m1/s1
SMILES COC(=O)C(Cc1ccccc1)OC(CC(C)C)C(=O)O[C@H]1C(=O)C(CO)=C[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nigrospora sp. PSU-F5 Ref.
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