input word = C00046495

Metabolite InformationStructural formula
Name Vaticaphenol A
(-)-Vaticaphenol A
Formula C56H42O12
Mw 906.26762681
CAS RN 246032-24-6
C_ID C00046495 ,
InChIKey VOANMQWFRWOKSM-CTZTYSEHNA-N
InChICode InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45+,46-,49-,50-,53+,55+,56+/m1/s1
SMILES c1cc(ccc1[C@H]1[C@H](c2cc(cc(c2)O)O)c2c(O1)cc(cc2[C@H]1c2c3[C@H]([C@H]1c1ccc(cc1)O)[C@@H](c1c([C@@H]4c3c(cc2O)O[C@H]4c2ccc(cc2)O)cc(cc1O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVatica oblongifolia ssp.obongifolia Ref.
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OrganismVatica oblongifolia ssp.obongifolia
ReferenceZgoda-Pols,J.Nat.Prod.,65,(2002),1554