input word = C00054184

Metabolite InformationStructural formula
Name Cyclocalamin
Formula C27H34O9
Mw 502.22028269
CAS RN 74751-39-6
C_ID C00054184
InChIKey QZEZEIDFGQZYKE-QTSMKSROSA-N
InChICode InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,18-21,30H,7,9,11H2,1-6H3/t14-,15?,18+,19?,20+,21-,24+,25+,26+,27-/m1/s1
SMILES COC(=O)CC1OC(C)(C)[C@@H]2C(=O)C(O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]543)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus reticulata var. austera x Fortunella sp. Ref.
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OrganismCitrus reticulata var. austera x Fortunella sp.
ReferenceBennett, R.D. et al., Tetrahedron, 1981, 37, 17 (Cyclocalamin)