input word = C00042461

Metabolite InformationStructural formula
Name Denticulatolide
Formula C22H30O6
Mw 390.20423869
CAS RN 99250-17-6
C_ID C00042461 ,
InChIKey DCNHEHMOEMETOF-QCFRCMIONA-N
InChICode InChI=1S/C22H30O6/c1-13-6-9-20(25-16(4)23)22(5)11-10-18(27-28-22)14(2)7-8-17-15(3)21(24)26-19(17)12-13/h7,12,17-20H,3,6,8-11H2,1-2,4-5H3/b13-12+,14-7-/t17-,18+,19+,20+,22+/m0/s1
SMILES C1C[C@H]2OO[C@]1([C@@H](CC/C(=C/[C@@H]1[C@@H](C/C=C\2/C)C(=C)C(=O)O1)/C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton crassocaule Ref.
--Sinularia gibberosa Ref.
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OrganismSarcophyton crassocaule
ReferenceDuh,J.Nat.Prod.,63,(2000),1634