input word = C00031734

Metabolite InformationStructural formula
Name Dianic acid
Formula C30H46O6
Mw 502.3294392
CAS RN 91652-29-8
C_ID C00031734 ,
InChIKey DONPTFNDUAGNOP-MQSQCRNNNA-N
InChICode InChI=1S/C30H46O6/c1-25(17-31)12-14-30(24(35)36)15-13-27(3)18(19(30)16-25)6-7-20-26(2)10-9-22(32)29(5,23(33)34)21(26)8-11-28(20,27)4/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19-,20+,21+,22-,25+,26+,27+,28+,29-,30-/m0/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@](C1)(CO)C)C(=O)O)C)C)C)(C(=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax japonicus Ref.
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