input word = C00043135

Metabolite InformationStructural formula
Name (+)-Makassaric acid
Formula C27H38O3
Mw 410.28209508
CAS RN 827348-07-2
C_ID C00043135 ,
InChIKey VIOMEESUKISOEL-BGDVBWSDNA-N
InChICode InChI=1S/C27H38O3/c1-17-7-10-23-26(4,14-11-22-25(2,3)12-6-13-27(22,23)5)20(17)16-19-15-18(24(29)30)8-9-21(19)28/h7-9,15,20,22-23,28H,6,10-14,16H2,1-5H3,(H,29,30)/t20-,22+,23-,26-,27+/m1/s1
SMILES C1[C@@H]2[C@@]([C@@H](C(=C1)C)Cc1c(ccc(c1)C(=O)O)O)(CC[C@@H]1[C@@]2(CCCC1(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
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