input word = C00047284

Metabolite InformationStructural formula
Name Lespecyrtin H2
(-)-Lespecyrtin H2
Formula C45H44O10
Mw 744.29344763
CAS RN 1103684-19-0
C_ID C00047284 ,
InChIKey DBQCTAUYYIOXBE-BLJMRYAENA-N
InChICode InChI=1S/C45H44O10/c1-21(2)7-10-24-15-30-37(19-34(24)47)53-20-33-29-17-32(39(50)27(12-8-22(3)4)42(29)54-44(30)33)41(52)38-31-18-36(49)40(51)28(13-9-23(5)6)43(31)55-45(38)26-14-11-25(46)16-35(26)48/h7-9,11,14-19,33,44,46-51H,10,12-13,20H2,1-6H3/t33-,44-/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(oc1c1ccc(cc1O)O)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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