input word = C00048116

Metabolite InformationStructural formula
Name Secalonic acid F
Formula C32H30O14
Mw 638.16355567
CAS RN 60687-07-2
C_ID C00048116 ,
InChIKey DRYDKQOPVBDZMQ-OVXCSHRQNA-N
InChICode InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27-,28+,31+,32+/m0/s1
SMILES c12c(C(=O)C3=C(C[C@@H]([C@@H]([C@@]3(O1)C(=O)OC)O)C)O)c(c(cc2)c1ccc2c(C(=O)C3=C(C[C@@H]([C@H]([C@@]3(O2)C(=O)OC)O)C)O)c1O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCaliciaceaeDiploicia canescens Ref.
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