input word = C00045872

Metabolite InformationStructural formula
Name Dubione A
(-)-Dubione A
Formula C30H44O4
Mw 468.32395989
CAS RN 481067-05-4
C_ID C00045872 ,
InChIKey YCJCYIJUVKYWES-RSOXBGTRNA-N
InChICode InChI=1S/C30H44O4/c1-17(2)22-10-8-18(26(33)34-22)25-21(31)16-30(7)20-9-11-23-27(3,4)24(32)13-14-28(23,5)19(20)12-15-29(25,30)6/h9,18-19,21-23,25,31H,1,8,10-16H2,2-7H3/t18-,19+,21+,22-,23+,25-,28-,29+,30-/m1/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H]([C@H](C2)O)[C@@H]1C(=O)O[C@H](CC1)C(=C)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia dubia Ref.
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