input word = C00049821

Metabolite InformationStructural formula
Name Mudanpinoic acid A
(+)-Mudanpinoic acid A
Formula C30H46O3
Mw 454.34469533
CAS RN 203511-36-8
C_ID C00049821 ,
InChIKey ZVTPITMTNGHPJR-FFXYCOCFNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)13-14-29(24(32)33)12-8-20-28(6)10-7-19-26(3,4)23(31)9-11-27(19,5)21(28)15-18-16-30(18,20)22(29)17-25/h8,18-19,21-23,31H,7,9-17H2,1-6H3,(H,32,33)/t18-,19+,21-,22+,23+,27+,28+,29-,30-/m1/s1
SMILES [C@]12([C@H](CC(CC1)(C)C)[C@@]13C(=CC2)[C@]2([C@H](C[C@@H]1C3)[C@@]1([C@@H](CC2)C([C@H](CC1)O)(C)C)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa Ref.
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OrganismPaeonia suffruticosa
ReferenceLin,J.Nat.Prod.,61,(1998),343