input word = C00037981

Metabolite InformationStructural formula
Name Vaticanol C
Formula C56H42O12
Mw 906.26762681
CAS RN 287101-84-2
C_ID C00037981 ,
InChIKey IASMCVJKSVRCAS-JDZUPQEBNA-N
InChICode InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39-23-41(66)56-53(46(30-19-37(63)22-38(64)20-30)55(68-56)28-7-15-34(60)16-8-28)48(39)51(43)44(26-3-11-32(58)12-4-26)49-40(65)24-42-50(52(47)49)45(29-17-35(61)21-36(62)18-29)54(67-42)27-5-13-33(59)14-6-27/h1-24,43-47,51,54-55,57-66H/t43-,44+,45-,46+,47?,51?,54-,55+/m0/s1
SMILES [C@H]1(c2ccc(cc2)O)[C@@H]2c3c4c(cc(c3[C@H]([C@H]1c1c2cc(c2c1[C@H]([C@H](O2)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
PlantaeDipterocarpaceaeVatica rassak Ref.
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