input word = C00049362

Metabolite InformationStructural formula
Name Calamistrin B
(+)-Calamistrin B
Formula C39H70O7
Mw 650.51215459
CAS RN 220525-67-7
C_ID C00049362 ,
InChIKey KZAKGPIHOZQGFU-DOCHFYRFNA-N
InChICode InChI=1S/C39H70O7/c1-4-5-6-7-8-12-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-14-11-9-10-13-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31-,34+,35-,36+,37+,38+/m0/s1
SMILES [C@@H]1(CC[C@@H](O1)[C@@H](O)CCCCCCCCCCC)[C@@H](C[C@@H](CCCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeUvaria calamistrata Ref.
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