input word = C00039849

Metabolite InformationStructural formula
Name Nigrospoxydon A
(+)-Nigrospoxydon A
Formula C22H28O8
Mw 420.17841787
CAS RN 1040744-00-0
C_ID C00039849 ,
InChIKey DMBDZHVALRXOEF-FEODRXGTNA-N
InChICode InChI=1S/C22H28O8/c1-12(5-6-22(29)13(2)8-15(24)10-21(22,3)4)7-17(26)30-20-18(27)14(11-23)9-16(25)19(20)28/h5-9,16,19-20,23,25,28-29H,10-11H2,1-4H3/b6-5+,12-7-/t16-,19+,20+,22-/m1/s1
SMILES CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=CC(=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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OrganismNigrospora sp. PSU-F5
ReferenceTrisuwan,J.Nat.Prod.,71,(2008),1323