input word = C00015698

Metabolite InformationStructural formula
Name Neobulgarone D
Formula C32H25ClO8
Mw 572.12379549
CAS RN 315209-18-8
C_ID C00015698 ,
InChIKey XTZHVTOVVQVQKP-UHFFFAOYNA-N
InChICode InChI=1S/C32H25ClO8/c1-12-5-15-23(17-9-14(34)10-18(35)24(17)31(38)25(15)21(7-12)40-3)27-16-6-13(2)8-22(41-4)26(16)32(39)28-19(36)11-20(37)30(33)29(27)28/h5-11,23,27,34-37H,1-4H3/t23-,27-/m0/s1
SMILES c12c(c(cc(c1)C)OC)C(=O)c1c([C@H]2[C@@H]2c3c(c(cc(c3)C)OC)C(=O)c3c2c(c(cc3O)O)Cl)cc(cc1O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiLeotiaceaeNeobulgaria pura HA A07-97 Ref.
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