input word = C00057153

Metabolite InformationStructural formula
Name Rollinecin A
Formula C37H68O7
Mw 624.49650453
CAS RN 177861-02-8
C_ID C00057153
InChIKey XNZJLZFJXAKNCP-NDTIKHGFSA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+,35+,36+/m0/s1
SMILES O=C1C(C[C@H](O)CCCCCCCCC[C@@H](O)CC[C@@H](O)[C@]2([H])O[C@]([C@@H](O)CCCCCCCCCCCC)([H])CC2)=C[C@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeRollinia mucosa Ref.
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