input word = C00045663

Metabolite InformationStructural formula
Name Arjunic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 31298-06-3
C_ID C00045663 ,
InChIKey XJMYUPJDAFKICJ-BIJFZNPXNA-N
InChICode InChI=1S/C30H48O5/c1-25(2)12-14-30(24(34)35)15-13-28(6)17(21(30)23(25)33)8-9-20-27(5)16-18(31)22(32)26(3,4)19(27)10-11-29(20,28)7/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19+,20-,21-,22+,23+,27+,28-,29-,30+/m1/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
PlantaeCombretaceaeTerminalia arjuna Ref.
PlantaeCombretaceaeTerminalia fagifolia Ref.
PlantaeLythraceaeLawsonia inermis Ref.
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OrganismTerminalia arjuna
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.