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 CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc(C(=O)c4c(-c5ccc(O)cc5O)oc5c(CC=C(C)C)c(O)c(O)cc45)c(O)c(CC=C(C)C)c3O[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLespedeza cyrtobotrya Ref.
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