input word = C00047285

Metabolite InformationStructural formula
Name Lespecyrtin H3
(-)-Lespecyrtin H3
Formula C50H50O10
Mw 810.34039782
CAS RN 1103684-22-5
C_ID C00047285 ,
InChIKey IYUZDUFYWMTORD-CDWBJASLNA-N
InChICode InChI=1S/C50H50O10/c1-24(2)9-12-27-17-33-41(21-37(27)51)57-23-36-31-19-35(43(54)29(13-10-25(3)4)46(31)58-48(33)36)45(56)42-34-20-39(53)44(55)30(14-11-26(5)6)47(34)59-49(42)32-18-28-15-16-50(7,8)60-40(28)22-38(32)52/h9-11,15-22,36,48,51-55H,12-14,23H2,1-8H3/t36-,48-/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(oc1c1cc3c(cc1O)OC(C=C3)(C)C)c(c(c(c2)O)O)CC=C(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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