input word = C00032444

Metabolite InformationStructural formula
Name Upunaphenol A
(-)-Upunaphenol A
Formula C84H62O18
Mw 1358.39361518
CAS RN 696647-81-1
C_ID C00032444 ,
InChIKey UWVJBUUPORTNLH-CMYMBINONA-N
InChICode InChI=1S/C84H62O18/c85-46-12-1-37(2-13-46)66-73-60(97)35-64-75(69(44-25-53(92)31-54(93)26-44)82(101-64)40-7-18-49(88)19-8-40)79(73)78-67(38-3-14-47(86)15-4-38)77(66)80-74(78)61(98)36-65-76(80)70(45-27-55(94)32-56(95)28-45)84(102-65)42-11-22-62-58(29-42)71(83(99-62)41-9-20-50(89)21-10-41)59-33-57(96)34-63-72(59)68(43-23-51(90)30-52(91)24-43)81(100-63)39-5-16-48(87)17-6-39/h1-36,66-71,77-78,81-98H/t66-,67-,68+,69-,70-,71-,77?,78+,81-,82+,83+,84+/m1/s1
SMILES [C@H]1(c2ccc(cc2)O)[C@@H]2c3c4c(cc(c3[C@H]([C@@H]1c1c2c(cc2c1[C@H]([C@@H](O2)c1cc2c(cc1)O[C@H]([C@H]2c1c2c(cc(c1)O)O[C@@H]([C@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)c1ccc(cc1)O)O)O[C@H]([C@@H]4c1cc(cc(c1)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeUpuna borneensis Ref.
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OrganismUpuna borneensis
ReferenceIto,Chem.Pharm.Bull.,55,(2007),1535