input word = C00030800

Metabolite InformationStructural formula
Name Myricetrione
Formula C30H44O5
Mw 484.31887452
CAS RN 539792-56-8
C_ID C00030800 ,
InChIKey XUTQPHXQIAVXGA-YHODXVSDNA-N
InChICode InChI=1S/C30H44O5/c1-25(2)14-19-28(6)12-17(32)24-27(5)10-9-20(33)26(3,4)23(27)16(31)13-30(24,8)18(28)11-21(34)29(19,7)15-22(25)35/h11,16-17,19,23-24,31-32H,9-10,12-15H2,1-8H3/t16-,17+,19-,23-,24+,27+,28+,29-,30-/m0/s1
SMILES C1(C(=O)C[C@]2([C@@H](C1)[C@]1(C(=CC2=O)[C@]2([C@H]([C@@H](C1)O)[C@]1([C@@H]([C@H](C2)O)C(C(=O)CC1)(C)C)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica rubra Ref.
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OrganismMyrica rubra
ReferenceMorikawa,J.Nat.Med.,61,(2007),112