input word = C00022582

Metabolite InformationStructural formula
Name 6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
Formula C25H42O5
Mw 422.30322445
CAS RN 129350-08-9
C_ID C00022582 ,
InChIKey MQPZZRJJCAGMTC-TWUFJHESNA-N
InChICode InChI=1S/C25H42O5/c1-8-17(3)22(28)30-20-15-18(4)23(5,13-11-16(2)14-21(26)27)19-10-9-12-24(6,29)25(19,20)7/h8,16,18-20,29H,9-15H2,1-7H3,(H,26,27)/b17-8-/t16-,18+,19+,20-,23-,24+,25-/m0/s1
SMILES C1C[C@@]([C@]2([C@H](C1)[C@]([C@@H](C[C@@H]2OC(=O)/C(=C\C)/C)C)(CC[C@@H](CC(=O)O)C)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia paniculata Ref.
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OrganismPteronia paniculata
ReferenceZdero,Phytochem.,29,(1990),1231