input word = C00012400

Metabolite InformationStructural formula
Name Jamaicolide D
Formula C22H28O7
Mw 404.18350325
CAS RN 102907-30-2
C_ID C00012400 ,
InChIKey RXBFCNRZMOYQNU-WLIODXSONA-N
InChICode InChI=1S/C22H28O7/c1-7-11(2)21(25)28-19-12(3)8-9-16(24)13(4)10-17(27-15(6)23)18-14(5)22(26)29-20(18)19/h7-8,16-20,24H,4-5,9-10H2,1-3,6H3/b11-7-,12-8+/t16-,17-,18-,19+,20+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)CC(=C)[C@@H](O)C/C=C(C)[C@H]2OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea jamaicensis Ref.
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OrganismCalea jamaicensis
ReferenceOber,Phytochem.,25,(1986),877