input word = C00029915

Metabolite InformationStructural formula
Name Ceanothic acid
Formula C30H46O5
Mw 486.33452458
CAS RN 21302-79-4
C_ID C00029915 ,
InChIKey WLCHQSHZHFLMJH-AOZJSVSKNA-N
InChICode InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21-,22+,23-,27+,28+,29-,30-/m0/s1
SMILES [C@@]12([C@@H](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@]3([C@H]1[C@@H](CC3)C(=C)C)C(=O)O)C)C)C([C@H]([C@@H]2C(=O)O)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeAlphitonia excelsa Boiss. Ref.
PlantaeRhamnaceaeAlphitonia petriei Braid et White. Ref.
PlantaeRhamnaceaeAlphitonia whitei Braid Ref.
PlantaeRhamnaceaeCeanothus americans L. Ref.
PlantaeRhamnaceaeCeanothus americanus Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
PlantaeRhamnaceaeZizyphus spina-christi Ref.
--Emmenospermum alphitonioides Ref.
--Zizphus cambodiana Ref.
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OrganismEmmenospermum alphitonioides
ReferenceEade,J.Chem.Soc.,Chem.Commun.,(1969),579

Burbage,J.Chem.Soc.,D,(1970),814