input word = C00039993

Metabolite InformationStructural formula
Name Phomoxanthone B
(-)-Phomoxanthone B
Formula C38H38O16
Mw 750.21598517
CAS RN 359844-70-5
C_ID C00039993 ,
InChIKey RAKGKFLUJPUROQ-GHSJDJAQNA-N
InChICode InChI=1S/C38H38O16/c1-15-11-25(45)30-33(48)28-26(53-37(30,13-49-17(3)39)35(15)51-19(5)41)10-8-21(31(28)46)22-7-9-23(43)27-32(47)29-24(44)12-16(2)36(52-20(6)42)38(29,54-34(22)27)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)OC[C@]12Oc3ccc(-c4ccc(O)c5c4O[C@@]4(COC(C)=O)C(=C(O)C[C@@H](C)[C@H]4OC(C)=O)C5=O)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. Ref.
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