input word = C00031116

Metabolite InformationStructural formula
Name Queretaroic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 511-82-0
C_ID C00031116 ,
InChIKey CZWBKSDPBWNHGO-VQMXMMGFNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26-,27-,28+,29+,30-/m0/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@@](C1)(CO)C)C(=O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaePutranjivaceaeDrypetes inaequalis Ref.
PlantaeVerbenaceaeClerodendron serratum Ref.
--Lemaireocereus beneckei Ref.
--Lemaireocereus queretaroensis Ref.
--Machaerocereus eruca Ref.
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OrganismClerodendron serratum
ReferenceNair,Curr.Sci.,45,(1976),391

Rangaswami,Tetrahedron,25,(1969),3701