input word = C00057692

Metabolite InformationStructural formula
Name Morinaphthalenone
Formula C21H36O4
Mw 352.26135964
CAS RN 955092-67-8
C_ID C00057692
InChIKey VBZJHEHGOKTDIZ-ANULTFPQSA-N
InChICode InChI=1S/C21H36O4/c1-15(2)8-6-5-7-11-25-19-18(24)9-10-21(14-22)13-17(23)12-16(3)20(19,21)4/h12,15,18-19,22,24H,5-11,13-14H2,1-4H3/t18-,19+,20+,21+/m1/s1
SMILES O=C1C=C(C)[C@@]2(C)[C@@H](OCCCCCC(C)C)[C@H](O)CC[C@@]2(CO)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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OrganismMorinda citrifolia
ReferenceSiddiqui, B.S. et al., Arch. Pharmacal Res., 2007, 30, 919-923 (isol, cd, pmr, cmr, ms)