input word = C00029289

Metabolite InformationStructural formula
Name Vaticanol B
(-)-Vaticanol B
Formula C56H42O12
Mw 906.26762681
CAS RN 287101-83-1
C_ID C00029289 ,
InChIKey VOANMQWFRWOKSM-RHMCSNEUNA-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 Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@@H]2[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H]3c2ccc(O)cc2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeHopea utilis Ref.
PlantaeDipterocarpaceaeShorea gibbosa Ref.
PlantaeDipterocarpaceaeUpuna borneensis Ref.
PlantaeDipterocarpaceaeVatica rassak Ref.
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