input word = C00055655

Metabolite InformationStructural formula
Name 2beta-hydroxyqueretaroic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 1322617-46-8
C_ID C00055655
InChIKey BUPMKQSMMNORBY-VOQUHGCTSA-N
InChICode InChI=1S/C30H48O5/c1-25(2)21-9-10-29(6)22(27(21,4)16-20(32)23(25)33)8-7-18-19-15-26(3,17-31)11-13-30(19,24(34)35)14-12-28(18,29)5/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21-,22+,23-,26-,27-,28+,29+,30-/m0/s1
SMILES CC1(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago truncatula Ref.
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OrganismMedicago truncatula
ReferenceGholami, A. et al., Nat. Prod. Rep., 31, (2014), 356-380.