input word = C00033322

Metabolite InformationStructural formula
Name Pomonic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 13849-90-6
C_ID C00033322 ,
InChIKey KQTSQSVDAUIWJH-HPGWEVOSNA-N
InChICode InChI=1S/C30H46O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-21,23,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,23-,26+,27-,28-,29-,30+/m1/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia multispicata Ref.
PlantaeRosaceaePyrus malus L. Ref.
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OrganismPyrus malus L.
ReferenceBrieskorn,Z.Naturforsch.,21,(1966),1005

Lawrie,J.Chem.Soc.,C,(1967),851