input word = C00003755

Metabolite InformationStructural formula
Name Squalene
Spinacene
Supraene
Formula C30H50
Mw 410.39125159
CAS RN 111-02-4
C_ID C00003755 ,
InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
InChICode InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILES CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeFomes officinalis Ref.
PlantaeAlliaceaeAllium Sativum Ref.
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsteraceaeArtemisia vulgaris Ref.
PlantaeAsteraceaeBaccharis spp. Ref.
PlantaeAsteraceaeDoellingeria scaber Ref.
PlantaeAsteraceaeEriocephalus scariosus Ref.
PlantaeAsteraceaeMicroglossa zeylandica Ref.
PlantaeAsteraceaeNidorella auriculata Ref.
PlantaeCannabaceaeCannabis inflorescences Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia multiflora Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCucurbitaceaeLuffa cylindrica Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
PlantaeCyatheaceaeCyathea podophylla Ref.
PlantaeEuphorbiaceaeAleurites cordata Ref.
PlantaeEuphorbiaceaeNeoboutonia glabrescens Prain Ref.
PlantaeFabaceaeAbrus precatorius Ref.
PlantaeFabaceaeCaesalpinia decapetala Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeGentianaceaeGentiana lutea L. Ref.
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeHydrangeaceaeHydrangea chinensis Ref.
PlantaeLabiataeCallicarpa pilosissima Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia canariensis L. Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia splendens Ref.
PlantaeLabiataeSideritis candicans var.eriocephala Ref.
PlantaeLabiataeSideritis discolor Ref.
PlantaeLabiataeSideritis lotsyi var. mascaensis Ref.
PlantaeLabiataeSideritis soluta Ref.
PlantaeLabiataeTectona grandis Ref.
PlantaeLauraceaeCinnamomum subavenium MIQ. Ref.
PlantaeMalvaceaeTilia vulgaris Ref.
PlantaeMoraceaeFicus septica Ref.
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
PlantaePalmaeSabal blackburniana Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeRutaceaeMurraya paniculata Ref.
PlantaeSamydaceaeCasearia membranacea Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeZingiberaceaeZingiber zerumbet Ref.
--Gymnaster koraiensis Ref.
--Laurencia dendroidea Ref.
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OrganismBaccharis spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter59