input word = C00044831

Metabolite InformationStructural formula
Name Jaborosalactol 23
(+)-Jaborosalactol 23
Formula C28H41ClO7
Mw 524.25408137
CAS RN 643752-93-6
C_ID C00044831 ,
InChIKey NGDNSEJCTJLCLZ-ISEJKGTLNA-N
InChICode InChI=1S/C28H41ClO7/c1-15(18-14-23(3)25(5,36-23)21(32)35-18)27(33)11-12-28(34)17-13-20(31)26(29)9-6-7-19(30)24(26,4)16(17)8-10-22(27,28)2/h6-7,15-18,20-21,31-34H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22+,23+,24+,25-,26+,27-,28+/m1/s1
SMILES C1=CC[C@]2([C@](C1=O)([C@@H]1[C@@H](C[C@H]2O)[C@@]2([C@@](CC1)([C@@](CC2)([C@@H]([C@H]1C[C@]2([C@@]([C@@H](O1)O)(O2)C)C)C)O)C)O)C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa bergii Ref.
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