input word = C00039813

Metabolite InformationStructural formula
Name Myrtucommulone D
(+)-Myrtucommulone D
Formula C38H50O9
Mw 650.3454832
CAS RN 126221-82-7
C_ID C00039813 ,
InChIKey ITNDAFZKMDPQMX-ZHHUZDJENA-N
InChICode InChI=1S/C38H50O9/c1-15(2)18-20-26(40)23(25(39)17(5)6)28-21(27(20)46-31-22(18)29(41)34(7,8)32(43)36(31,11)12)19(16(3)4)24-30(42)35(9,10)33(44)37(13,14)38(24,45)47-28/h15-19,24,40,45H,1-14H3/t18-,19-,24-,38+/m1/s1
SMILES c12c(c(c(c3c1[C@H]([C@H]1[C@](O3)(C(C(=O)C(C1=O)(C)C)(C)C)O)C(C)C)C(=O)C(C)C)O)[C@H](C1=C(O2)C(C(=O)C(C1=O)(C)C)(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeCorymbia scabrida Ref.
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