input word = C00014542

Metabolite InformationStructural formula
Name Lophiroflavan C
Formula C60H50O15
Mw 1010.31497093
CAS RN 145107-55-7
C_ID C00014542 ,
InChIKey SZANJVUUZYJUNX-HXIWSZQDNA-N
InChICode InChI=1S/C60H50O15/c61-33-9-1-29(2-10-33)23-45-52(55(72)41-21-18-38(66)25-47(41)69)56(30-3-11-34(62)12-4-30)74-59(45)44-27-43(48(70)28-49(44)71)51(40-20-17-37(65)24-46(40)68)53-54-58(32-7-15-36(64)16-8-32)73-50-26-39(67)19-22-42(50)60(54)75-57(53)31-5-13-35(63)14-6-31/h1-22,24-28,45,51-54,56-71H,23H2/t45-,51+,52-,53+,54-,56+,57-,58-,59-,60+/m0/s1
SMILES c1(ccc(cc1)[C@@H]1[C@@H]([C@@H]([C@@H](O1)c1cc(c(cc1O)O)[C@H]([C@@H]1[C@@H]2[C@H](O[C@H]1c1ccc(cc1)O)c1c(O[C@H]2c2ccc(cc2)O)cc(cc1)O)c1ccc(cc1O)O)Cc1ccc(cc1)O)C(=O)c1ccc(cc1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeLophira alata Ref.
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