input word = C00032452

Metabolite InformationStructural formula
Name Upunaphenol I
(-)-Upunaphenol I
Formula C56H40O12
Mw 904.25197674
CAS RN 879897-44-6
C_ID C00032452 ,
InChIKey GNHFEBBJYOONPN-JPDMNHOINA-N
InChICode InChI=1S/C56H40O12/c57-27-9-1-23(2-10-27)41-43-33(17-31(61)19-35(43)63)45-49-39(67-55(45)25-5-13-29(59)14-6-25)21-37(65)47-48-38(66)22-40-50-46(56(68-40)26-7-15-30(60)16-8-26)34-18-32(62)20-36(64)44(34)42(24-3-11-28(58)12-4-24)52(54(48)50)51(41)53(47)49/h1-22,41-42,45-46,51-52,55-66H/t41-,42-,45-,46-,51?,52?,55+,56+/m1/s1
SMILES c12c3c4[C@H]([C@H]5c1c1c(cc2O)O[C@H]([C@@H]1c1c([C@H]5c2ccc(cc2)O)c(cc(c1)O)O)c1ccc(cc1)O)[C@@H](c1c([C@@H]2c4c(cc3O)O[C@H]2c2ccc(cc2)O)cc(cc1O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeUpuna borneensis Ref.
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