input word = C00036776

Metabolite InformationStructural formula
Name Atranone B
Formula C25H34O7
Mw 446.23045344
CAS RN 227597-62-8
C_ID C00036776 ,
InChIKey BDGOANHBKYFDGC-CHXNNWPFNA-N
InChICode InChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8+,19-14-/t15-,17+,18-,20+,24+,25-/m1/s1
SMILES [C@H]12[C@@H]3[C@@H](O[C@]1(O)C)/C(=C/C[C@H]1[C@](CC/C(=C\3/OC2=O)/C)(OC(=O)C(=C1C(C)C)OC)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stachybotrys chartarum Ref.
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