input word = C00032159

Metabolite InformationStructural formula
Name Siphonol B
(-)-Siphonol B
Formula C38H44O12
Mw 692.28327687
CAS RN 508172-10-9
C_ID C00032159 ,
InChIKey XYELSYGEQPFQMP-GKIRPWIQNA-N
InChICode InChI=1S/C38H44O12/c1-7-36(6)19-25(49-32(43)23-14-10-8-11-15-23)29-37(20-39)26(18-27(42)38(29,46)34(36)45)35(4,5)30(48-22(3)41)28(47-21(2)40)31(37)50-33(44)24-16-12-9-13-17-24/h7-17,25-31,39,42,46H,1,18-20H2,2-6H3/t25-,26+,27-,28+,29-,30-,31+,36+,37+,38+/m1/s1
SMILES C=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](O)(C1=O)[C@H](O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]12CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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