input word = C00047286

Metabolite InformationStructural formula
Name Lespecyrtin H4
(-)-Lespecyrtin H4
Formula C50H50O10
Mw 810.34039782
CAS RN 1103684-23-6
C_ID C00047286 ,
InChIKey IDGPGLVHZYTLFC-PNQDZNTRNA-N
InChICode InChI=1S/C50H50O10/c1-24(2)9-12-27-17-32(39(53)21-37(27)51)49-42(34-20-40(54)48-30(46(34)59-49)15-16-50(7,8)60-48)44(56)35-19-31-36-23-57-41-22-38(52)28(13-10-25(3)4)18-33(41)47(36)58-45(31)29(43(35)55)14-11-26(5)6/h9-11,15-22,36,47,51-55H,12-14,23H2,1-8H3/t36-,47-/m0/s1
SMILES [C@@H]12[C@@H](COc3c1cc(c(c3)O)CC=C(C)C)c1c(O2)c(c(c(c1)C(=O)c1c2c(oc1c1cc(c(cc1O)O)CC=C(C)C)c1c(c(c2)O)OC(C=C1)(C)C)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLespedeza cyrtobotrya Ref.
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