input word = C00050955

Metabolite InformationStructural formula
Name Isomasticadienonalic acid
Formula C30H44O4
Mw 468.32395989
CAS RN 62499-11-0
C_ID C00050955
InChIKey CTZUXTNMDDRMNB-UVDSBWARNA-N
InChICode InChI=1S/C30H44O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24H,7,9-17H2,1-6H3,(H,33,34)/b19-8-/t20-,21+,24+,28-,29+,30-/m1/s1
SMILES C/C(=C/CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeSchinus molle Ref.
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OrganismSchinus molle
ReferenceYueqin, et al., Planta Med, 69, (2003), 893