input word = C00029789

Metabolite InformationStructural formula
Name Barbinervic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 64199-78-6
C_ID C00029789 ,
InChIKey YLHQFGOOMKJFLP-LVJFYAHBNA-N
InChICode InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22-,23-,25+,26-,27-,28-,29-,30+/m1/s1
SMILES C1[C@H]([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)(CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClethraceaeClethra barbinervis Sieb.et Zucc. Ref.
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeGesneriaceaeConandron ramondioides Sieb.et Zucc. Ref.
PlantaeRubiaceaeCoussarea brevicaulis Ref.
PlantaeRubiaceaeMitragyna inermis Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
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OrganismClethra barbinervis Sieb.et Zucc.
ReferenceTakahashi,Chem.Pharm.Bull.,26,(1978),2689