input word = C00039812

Metabolite InformationStructural formula
Name Myrtucommulone A
(+)-Myrtucommulone A
Formula C38H52O10
Mw 668.35604788
CAS RN 54247-21-1
C_ID C00039812 ,
InChIKey BIHONVMOJSPPFL-PVIFGLDDNA-N
InChICode InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
SMILES c1(c(c(c(c(c1O)[C@H](C1=C(C(C(=O)C(C1=O)(C)C)(C)C)O)C(C)C)O)C(=O)C(C)C)O)[C@H](C1=C(C(C(=O)C(C1=O)(C)C)(C)C)O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeCorymbia scabrida Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
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