input word = C00030549

Metabolite InformationStructural formula
Name Isotingenone III
Formula C28H36O3
Mw 420.26644502
CAS RN 52613-30-6
C_ID C00030549 ,
InChIKey NQQIOIHBDSUKND-XUUSHWDENA-N
InChICode InChI=1S/C28H36O3/c1-16-13-23-25(3,15-22(16)30)11-12-28(6)26(4)9-7-18-17(2)24(31)21(29)14-19(18)20(26)8-10-27(23,28)5/h7-9,14,16,23,29,31H,10-13,15H2,1-6H3/t16-,23-,25+,26-,27+,28-/m1/s1
SMILES c1(c(c(c2c(c1)C1=CC[C@@]3([C@@]([C@@]1(C=C2)C)(CC[C@@]1([C@H]3C[C@H](C(=O)C1)C)C)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus illicifolia Mart ex Reiss. Ref.
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OrganismMaytenus illicifolia Mart ex Reiss.
ReferenceItokawa,J.Nat.Med.,62,(2008),263