input word = C00003310

Metabolite InformationStructural formula
Name Ivalin
[3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
Formula C15H20O3
Mw 248.1412445
CAS RN 5938-03-4
C_ID C00003310 ,
InChIKey OVIILQQKQPCQTF-CCTDJDRSNA-N
InChICode InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1
SMILES [C@@H]1(CC(=C)[C@H]2[C@](C1)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarpesium spp. Ref.
PlantaeAsteraceaeInula anatolica Ref.
PlantaeAsteraceaeInula sp. Ref.
PlantaeAsteraceaeIva imbricata Ref.
PlantaeAsteraceaeIva microcephala Ref.
PlantaeAsteraceaeOndetia linearis Ref.
PlantaeAsteraceaeWedelia spp. Ref.
PlantaeAsteraceaeZaluzania spp. Ref.
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OrganismIva microcephala
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51