input word = C00029993

Metabolite InformationStructural formula
Name Clethric acid
Formula C30H48O6
Mw 504.34508927
CAS RN 68800-57-7
C_ID C00029993 ,
InChIKey MDDPTIWFHAUVPJ-ZNQQDWJGNA-N
InChICode InChI=1S/C30H48O6/c1-18-8-13-29(24(34)35)15-14-26(3)19(23(29)28(18,5)36)6-7-20-25(2)11-10-22(33)30(16-31,17-32)21(25)9-12-27(20,26)4/h6,18,20-23,31-33,36H,7-17H2,1-5H3,(H,34,35)/t18-,20-,21-,22-,23+,25-,26-,27-,28-,29+/m1/s1
SMILES C1[C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CC[C@H]([C@]1(O)C)C)C(=O)O)C)C)C)(CO)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClethraceaeClethra barbinervis Sieb.et Zucc. Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
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