input word = C00044830

Metabolite InformationStructural formula
Name Jaborosalactol 21
Formula C28H37ClO6
Mw 504.22786662
CAS RN 643752-92-5
C_ID C00044830 ,
InChIKey CVMBQOVPLWICIZ-AEBIBPBHNA-N
InChICode InChI=1S/C28H37ClO6/c1-23-9-7-16-15(11-20(31)27(29)8-5-6-19(30)25(16,27)3)21(23)14-10-17(28(23,33)12-14)18-13-24(2)26(4,35-24)22(32)34-18/h5-6,14,16-18,20,22,31-33H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27-,28+/m0/s1
SMILES C1=CC[C@]2([C@](C1=O)([C@@H]1C(=C3[C@](CC1)([C@]1(C[C@@H]3C[C@@H]1[C@H]1C[C@]3([C@]([C@@H](O1)O)(C)O3)C)O)C)C[C@H]2O)C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa bergii Ref.
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