input word = C00029677

Metabolite InformationStructural formula
Name Alphitolic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 19533-92-7
C_ID C00029677 ,
InChIKey PFCVZKFJHRCLCC-LINDCBOINA-N
InChICode InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES [C@@H]1([C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@](CC2)(C(=O)O)CC[C@H]1C(=C)C)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChchlospermaceaeCochlospermum trincorium Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaeRhamnaceaeAlphitonia excelsa Boiss. Ref.
PlantaeRhamnaceaeAlphitonia petriei Braid et White. Ref.
PlantaeRhamnaceaeAlphitonia whitei Braid Ref.
PlantaeRosaceaeChaenomeles sinensis KOEHNE Ref.
--Dryobalanop aromatica Ref.
--Zizphus cambodiana Ref.
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OrganismZizphus cambodiana
ReferenceSuksamrarn,Chem.Pharm.Bull.,54,(2006),535