input word = C00046014

Metabolite InformationStructural formula
Name Hopeaphenol A
(-)-Hopeaphenol A
Formula C56H42O12
Mw 906.26762681
CAS RN 474959-71-2
C_ID C00046014 ,
InChIKey YQQUILZPDYJDQJ-CRFVFIAENA-N
InChICode InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46+,51+,52-,53-,54-,55+,56+/m1/s1
SMILES c1c(ccc(c1)[C@H]1[C@@H]2c3cc(cc(c3[C@H]([C@H](c3c2c(O1)cc(c3)O)[C@@H]1c2c3c(cc(c2)O)O[C@H]([C@@H]3c2c(c(cc(c2)O)O)[C@@H]1c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVatica oblongifolia ssp.obongifolia Ref.
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