input word = C00039992

Metabolite InformationStructural formula
Name Phomoxanthone A
Formula C38H38O16
Mw 750.21598517
CAS RN 359844-69-2
C_ID C00039992 ,
InChIKey OHHXJWHRQGZQJM-UHFFFAOYNA-N
InChICode InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35+,36+,37-,38+/m1/s1
SMILES CC(=O)OCC12Oc3c(-c4ccc(O)c5c4OC4(COC(C)=O)C(=C(O)CC(C)C4OC(C)=O)C5=O)ccc(O)c3C(=O)C1=C(O)CC(C)C2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. Ref.
zoom in