input word = C00039815

Metabolite InformationStructural formula
Name Myrtucommulone G
(+)-Myrtucommulone G
Formula C40H54O9
Mw 678.37678332
CAS RN 1051388-74-9
C_ID C00039815 ,
InChIKey VCHNRICAPWWRIS-CWHGBFNVNA-N
InChICode InChI=1S/C40H54O9/c1-14-15-16-17-20(41)23-28(42)24-21(18(2)3)26-31(43)36(6,7)34(45)38(10,11)33(26)48-29(24)25-22(19(4)5)27-32(44)37(8,9)35(46)39(12,13)40(27,47)49-30(23)25/h18-19,21-22,27,42,47H,14-17H2,1-13H3/t21-,22-,27-,40+/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)CCCCC)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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