input word = C00000181

Metabolite InformationStructural formula
Name Castasterone
Formula C28H48O5
Mw 464.35017464
CAS RN 80736-41-0
C_ID C00000181 ,
InChIKey VYUIKSFYFRVQLF-DPUPMYOXNA-N
InChICode InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27-,28+/m0/s1
SMILES [C@@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@H]([C@H]3[C@@](CC1)([C@H](CC3)[C@@H]([C@H]([C@H](O)[C@H](C(C)C)C)O)C)C)CC2=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeBetulaceaeAlnus glutinosa Ref.
PlantaeConvolvulaceaePharbitis purpurea Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica campestris Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeEquisetaceaeEquisetum arvense Ref.
PlantaeFabaceaeDolichos lablab Ref.
PlantaeFabaceaeLablab purpureus Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeFagaceaeCastanea crenata Ref.
PlantaeHamamelidaceaeDistylium racemosum Ref.
PlantaePinaceaePicea sitchensis Ref.
PlantaePinaceaePinus sylvestris Ref.
PlantaePinaceaePinus thunbergii Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeZea mays Ref.
PlantaePolygonaceaeFagopyrum esculentum Ref.
PlantaeTheaceaeThea sinensis Ref.
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