input word = C00036031

Metabolite InformationStructural formula
Name Afzelone B
Formula C30H22O9
Mw 526.1263823
CAS RN 623147-69-3
C_ID C00036031 ,
InChIKey NKSQAMNUMKPFDM-OFDYXHHSNA-N
InChICode InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-12-20(34)25-24(38-22)13-21(35)26(29(25)37)27-28(36)19-10-9-18(33)11-23(19)39-30(27)15-3-7-17(32)8-4-15/h1-11,13,22,27,30-33,35,37H,12H2/t22-,27-,30+/m1/s1
SMILES c1(c(c(c2c(c1)O[C@H](CC2=O)c1ccc(cc1)O)O)[C@@H]1C(=O)c2c(O[C@H]1c1ccc(cc1)O)cc(cc2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeOchna afzelii Ref.
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