input word = C00051405

Metabolite InformationStructural formula
Name Macrocarpal A
Formula C28H40O6
Mw 472.28248901
CAS RN 132951-90-7
C_ID C00051405
InChIKey IBLPTYJTKWQCDX-YEOPFEMVNA-N
InChICode InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19+,21-,22-,27-,28-/m1/s1
SMILES CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus globulus Ref.
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OrganismEucalyptus globulus
ReferenceMurata, et al., Chem Abstr, 118, (1993), 160552q.

Osawa, et al., Journal of Natural Products, 59, (1996), 823.

Nishizawa, et al., Tetrahedron Lett, 33, (1992), 2983