input word = C00009373

Metabolite InformationStructural formula
Name Stenophyllanin A
Formula C56H40O31
Mw 1208.15535457
CAS RN 97775-88-7
C_ID C00009373 ,
InChIKey MRRHAYNXHYEUOD-MFFJEASWNA-N
InChICode InChI=1S/C56H40O31/c57-18-2-1-12(3-20(18)59)47-27(66)6-14-19(58)10-21(60)32(48(14)84-47)35-34-36-33(44(74)46(76)45(34)75)31-17(9-26(65)40(70)43(31)73)55(80)87-51(50(35)86-56(36)81)49-28(83-52(77)13-4-22(61)37(67)23(62)5-13)11-82-53(78)15-7-24(63)38(68)41(71)29(15)30-16(54(79)85-49)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,35,47,49-51,57-76H,6,11H2/t27-,28-,35+,47-,49-,50+,51+/m1/s1
SMILES [C@H]1([C@H]2[C@@H]3[C@H](c4c(O)c(c(c(c5c(C(=O)O2)cc(c(c5O)O)O)c4C(=O)O3)O)O)c2c(cc(c3c2O[C@@H]([C@@H](C3)O)c2cc(c(cc2)O)O)O)O)[C@H](OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2c(c(c(c(c2)O)O)O)c2c(cc(c(c2O)O)O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus stenophylla Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeRosaceaeCowania mexicana Ref.
zoom in