input word = C00000185

Metabolite InformationStructural formula
Name Typhasterol
2-Deoxycastasterone
Formula C28H48O4
Mw 448.35526002
CAS RN 87734-68-7
C_ID C00000185 ,
InChIKey SBSXXCCMIWEPEE-MFVIFMRINA-N
InChICode InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27-,28+/m0/s1
SMILES C1[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaeDolichos lablab L. Ref.
PlantaePinaceaePicea sitchensis Ref.
PlantaePinaceaePinus thunbergi Ref.
PlantaePinaceaePinus thunbergii Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaePoaceaeZea mays Ref.
PlantaeTheaceaeThea sinensis Ref.
PlantaeTyphaceaeTypha latifolia Ref.
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