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 Oc1ccc(C2[C@@H]3c4c5c(cc(O)c4[C@@H](c4ccc(O)cc4)[C@H]2c2c3c(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc4c(c2)[C@H](c2cc(O)cc6c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O6)[C@@H](c2ccc(O)cc2)O4)O3)O[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)cc1
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