input word = C00022565

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-4beta,10beta-dihydroxy-8beta,17,15,16-bis-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C25H32O8
Mw 460.209718
CAS RN 129384-18-5
C_ID C00022565 ,
InChIKey XHEYIZKEOIAHKH-KRRFDZCVNA-N
InChICode InChI=1S/C25H32O8/c1-5-15(2)19(26)33-18-6-8-25(29)21(3,22(18,4)28)9-10-23(14-31-23)24(25)12-17(32-20(24)27)16-7-11-30-13-16/h5,7,11,13,17-18,28-29H,6,8-10,12,14H2,1-4H3/b15-5-/t17-,18-,21-,22+,23-,24-,25-/m1/s1
SMILES C1[C@H]([C@@]([C@@]2([C@](C1)([C@@]1([C@]3(CC2)OC3)C(=O)O[C@H](C1)c1ccoc1)O)C)(O)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia incana Ref.
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OrganismPteronia incana
ReferenceZdero,Phytochem.,29,(1990),1231